Chemical physics letters

Label

• Chemical physics letters (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Role of defects on the gas sensing properties of carbon nanotubes thin films: experiment and theory (Articolo in rivista) (Prodotto della ricerca)
• Response theory calculations of two-photon circular dichroism (Articolo in rivista) (Prodotto della ricerca)
• ABSORPTION TAIL PHOTOCONDUCTIVITY IN SOLID FILMS OF C-60 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Time-dependent and coupled-perturbed DFT and HF investigations on the absorption spectrum and non-linear optical properties of push-pull M(II)-porphyrin complexes (M = Zn, Cu, Ni) (Articolo in rivista) (Prodotto della ricerca)
• Hyperfine coupling constants of dimethyl nitroxide in aqueous solution: Car-Parrinello molecular dynamics and discrete-continuum approaches (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Interaction components in the hydrogen halide dications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Study on sulphonated polysulphone/polyurethane blend membranes for fuel cell applications (Articolo in rivista) (Prodotto della ricerca)
• The functionalization of (5,5), (9,0), and (10,0) single wall carbon nanotubes by CHn fragments (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• New bonding mode of CO on stepped MgO surfaces from density functional cluster model calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Van der Waals interactions in a monosolvated chiral fluorinated molecule: R2PI vibroelectronic spectra of (R)-1-phenyl-2,2,2-trifluoroethanol clustered with water (Articolo in rivista) (Prodotto della ricerca)
• Double photoionization of N2O molecules in the 28-40 eV energy range (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Excited state intramolecular proton transfer in free base hemiporphyrazine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• High-sensitivity detection of the rotation spectrum of HCl in the v=1 state by tunable FIR spectroscopy (Articolo in rivista) (Prodotto della ricerca)
• Relating structure with morphology: A comparative study of perfect Langmuir-Blodgett multilayers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the formation of HRP compound I At high pH: new insight from ab initio molecular dynamics (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Using the Source Function descriptor to dampen the multipole model bias in charge density studies from X-ray structure factors refinements (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Quasiclassical trajectory calculations of vibrationally specific dissociation cross-sections and rate constants for the reaction O+O2(v)->3O (Articolo in rivista) (Prodotto della ricerca)
• Electronically excited states and transport properties of thermal plasmas: the viscosity (Articolo in rivista) (Prodotto della ricerca)
• Direct simulation of non-equilibrium kinetics under shock conditions in nitrogen (Articolo in rivista) (Prodotto della ricerca)
• Direct vs. indirect injection mechanisms in perylene dye-sensitized solar cells: A DFT/TDDFT investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Linestrength of oxygen's atmospheric transitions from absorption data. I . The A, B, and y bands (Articolo in rivista) (Prodotto della ricerca)
• Accurate bond valence parameters for M-O bonds (M=C,N,La,Mo,V) (Articolo in rivista) (Prodotto della ricerca)
• Monte Carlo Simulation of Lignt Scattering Spectra in Atomic Gases (Articolo in rivista) (Prodotto della ricerca)
• NH3(V2) inversion doubling and two-mode interaction of PH3(V 4,V2) in V-V energy transfer with PH2(X2B1;v\"2=1) (Articolo in rivista) (Prodotto della ricerca)
• Autoionisation of superexcited states to the N2+ B state in N2 (Articolo in rivista) (Prodotto della ricerca)
• A preliminary investigation on reinforced double layer Nafion membranes for high temperature PEFCs application (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Dynamical suppression of atomic peaks in resonant dissociative photoemission (Articolo in rivista) (Prodotto della ricerca)
• Photoelectron spectroscopy (PES) study of gas-phase 2,5-(2,2'-dithienyl)diethynyl-thiophene (TRIM): an experimental and theoretical study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Van der Waals potential energy surface of CH2ClFCH2ClF···Xe (Articolo in rivista) (Prodotto della ricerca)
• Reactivity enhanced by under-barrier tunneling and resonances:the F+ + H2 -- HF + H reaction (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Linestrength of oxygen's atmospheric transitions from absorption data. II.The 1.27- microm transition (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Vibrational analysis from linear response theory (Articolo in rivista) (Prodotto della ricerca)
• onization of excited nitrogen molecules by electron impact (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• An indirect approach to the determination of the nuclear quadrupole moment by four-component relativistic DFT in molecular calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Multi-frequency high-field EPR study of (H+)(e-) pairs localized at the surface of polycrystalline MgO (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Self assembling monolayers of dialkynyl bridged Pd(II) thiols obtained by thermally induced multilayer desorption: Thermal and chemical stability investigated by SR-XPS (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electron Impact Ionization Cross Sections of Vibrationnally and Electronically Oxygen Molecules (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Magnetic field effects on emission and current in Alq3-based electroluminescent diodes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• QCT Calculations for the process N2(v)+N--->N2(v )+N in the whole vibrational range (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Classical transport collision integrals for a Lennard-Jones like phenomenological model potential (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The Relaxation of vibrationally excited O2 molecules by atomic oxygen (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Morphology of 1-alkyl-3-methylimidazolium hexafluorophosphate room temperature ionic liquids (Articolo in rivista) (Prodotto della ricerca)
• Structural and conformational investigation of nemorosone: a combined X ray and ab initio study (Articolo in rivista) (Prodotto della ricerca)
• Even parity states in small band gap p-conjugated polymers: polydithienothiophenes (Articolo in rivista) (Prodotto della ricerca)
• Microsolvation of the Zn(II) ion in aqueous solution: an hybrid QM/MM MD approach using non-periodic boundary conditions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Carbonyl group generation on single-wall carbon nanotubes with nitric acid: A theoretical description (Articolo in rivista) (Prodotto della ricerca)
• Photo-double ionization of water studied by threshold photoelectrons coincidence spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Order-disorder phase boundary between ice VII and VIII obtained by first principles (Articolo in rivista) (Prodotto della ricerca)
• Chemical composition of GaAs oxides grown by local anodic oxidation: a spatially resolved Auger study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Energy Transfer in Nanostructured Oligothiophene Inclusion Compounds (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Role and Importance of Nanoparticles in Femtosecond Pulsed Laser Ablation Deposition of Al-Cu-Fe Quasicrystal (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the kinetics and mechanism of the oxidation of I- by ·OH/O·- in alkaline aqueous solution. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A novel parametrization scheme for classical and quantum mechanical simulations of large, floppy molecular systems (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Molecular modeling of the inhibition of protein-protein interactions with small molecules: The IL2-IL2R alpha case (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• High pressure small-angle neutron scattering study of the aggregation state of beta-lactoglobulin in water and in water/ethylene-glycol solutions (Articolo in rivista) (Prodotto della ricerca)
• Detection and identification of TNT, 2,4-DNT and 2,6-DNT by near-infrared cavity ringdown spectroscopy. (Articolo in rivista) (Prodotto della ricerca)
• Guest species trapped inside carbon nanotubes (Articolo in rivista) (Prodotto della ricerca)
• In-catalyzed growth of high-purity indium oxide nanowires (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electro-photoluminescence in organics (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• IS THE CORE PHOTOELECTRON BAND OF NEON ASYMMETRIC OR NOT (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Reaction of 2-hydroxy-2-propyl radical with maleic and fumaric acids in aqueous solution: pH dependence (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Evidences of Long Lived Cages in Functionalized Polymers:Effects on Chromophore Dynamic and Spectroscopic Properties (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• HIGH-RESOLUTION FOURIER-TRANSFORM SPECTROSCOPY OF THE NU(1) FUNDAMENTAL-BAND OF NITROSYL BROMIDE (Articolo in rivista) (Prodotto della ricerca)
• Exciton dynamics in an aromatic diamine at the interface with 8-hydroxyquinoline aluminum (Articolo in rivista) (Prodotto della ricerca)
• Simulation study of CO2 adsorption properties in small Zeolite Imidazolate Frameworks (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Vibronically-induced chirality change in molecules revealed by electronic circular dichroism spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A dynamical density functional study of CO migration in the Reppe carbonylation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Free jet absorption millimeter wave spectrum of 2,4'-dipyridyl (Articolo in rivista) (Prodotto della ricerca)
• Tracing photoinduced electron transfer process in conjugated polymer/fullerene bulk heterojunctions in real time (Articolo in rivista) (Prodotto della ricerca)
• Synthesis, characterization and photocatalytic activity of NiO-Bi2O3 nanocomposites (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Evidence for elettric field dependent dissociation of exciplexes in electron donor-acceptor organic solid film (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Aggregation and interactions of C60 and C70 fullerenes in neat N-Methylpyrrolidinone and in N-Methylpyrrolidinone/toluene mixtures (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Highly efficient exciplex phosphorescence from organic light-emitting diodes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Organic electroluminescence from singlet and triplet exciplexes: Exciplex electrophosphorescent diode (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the evaluation of matrix elements between slater determinants orthogonal among themselves (Articolo in rivista) (Prodotto della ricerca)
• The absorption spectrum of C-60 in n-hexane solution revisited: Fitted experiment and TDDFT/PCM calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Ultrafast photoinduced ring-closure dynamics of a diarylethene polymer (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Accurate and feasible computations of structural and magnetic properties of large free radicals: the PBE0/N07D model (Articolo in rivista) (Prodotto della ricerca)
• Simulation of One-Dimensional Magnetic Resonance Powder Line Shapes Reduced to Area Computation (Articolo in rivista) (Prodotto della ricerca)
• A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations (Articolo in rivista) (Prodotto della ricerca)
• An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments (Articolo in rivista) (Prodotto della ricerca)
• Short-range interactions in ground state H+2 using fluctuation theory techniques (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• An ab Initio Investigation of the He-H2O Complex (Articolo in rivista) (Prodotto della ricerca)
• A Circular Dichroism and Structural Study of the Inclusion Complex Artemisinin-beta-cyclodextrin (Articolo in rivista) (Prodotto della ricerca)
• Separate dynamics of solute and solvent in water-glucose solutions by depolarized light scattering (Articolo in rivista) (Prodotto della ricerca)
• Experimental Study of the Second-Order Non-Linear Optical Properties of Tetrathia-[7]-Helicene (Articolo in rivista) (Prodotto della ricerca)
• Implementation and validation of DFT-D for molecular vibrations and dynamics: the benzene dimer as a case study (Articolo in rivista) (Prodotto della ricerca)
• Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and DSCF calculations (Articolo in rivista) (Prodotto della ricerca)
• Singlet excited state dynamics of uracil and thymine derivatives. A femtosecond fluorescence upconversion study in acetonitrile (Articolo in rivista) (Prodotto della ricerca)
• Ground state proton dynamics in stable phases of water (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Photoemission and the shape of amino acids (Articolo in rivista) (Prodotto della ricerca)
• Electric field effect on luminescence and photoconduction in electron donor-electron acceptor organic solid films (Articolo in rivista) (Prodotto della ricerca)
• Simulation of vacancy diffusion in a silver nanocluster (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• 3H NMR of the tritiated isotopologues of methine in nematic liquid-crystal solvents (Articolo in rivista) (Prodotto della ricerca)
• Probing of bound electron-hole-pairs by optical reexcitation in a short-chain oligomer charge carrier. (Articolo in rivista) (Prodotto della ricerca)
• Reply to \"Comment on: Photofragmentation of C-60 in seeded supersonic molecular beams: effects of ro-vibrational cooling (Articolo in rivista) (Prodotto della ricerca)
• Calculation of refractive indices and local electric field tensors in alpha-sexithiophene crystal (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Free jet absorption millimeter wave spectrum of purine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The role of the Cys2-Cys7 disulfide bridge on the early steps of Islet Amyloid Polypeptide aggregation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On N2(C3Piu, v=0)state lifetime and collisional deactivation rate by N2 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electric field and charge induced quenching of luminescence in electroluminescent emitters based on lanthanide complexes (Articolo in rivista) (Prodotto della ricerca)
• Nucleophilic and electrophilic radical attack on maleic and fumaric acids in aqueous solution (Articolo in rivista) (Prodotto della ricerca)
• Alignment of ethylene molecules in supersonic seeded expansions probed by infrared polarized laser absorption and by molecular beam scattering (Articolo in rivista) (Prodotto della ricerca)
• Suppression of the excimer photoluminescence in a poly(arylene-ethynylene) co-polymer (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Looking for structural phase transitions in the colossal magnetoresistive thiospinel FeCr2S4, by a multi-temperature single-crystal X-ray diffraction study (Articolo in rivista) (Prodotto della ricerca)
• Time dependent density functional theory study of the absorption spectrum of the [Ru(4,4?-COO--2,2?-bpy)2(X)2]4- (X = NCS, Cl) dyes in water solution (Articolo in rivista) (Prodotto della ricerca)
• Evaluating the magnetic anisotropy in molecular rare earth compounds. Gadolinium derivatives with semiquinone radical and diamagnetic analogues (Articolo in rivista) (Prodotto della ricerca)
• Hydrogen atom recombination on graphite at 10K via the Eley-Rideal mechanism (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Oxygen K-edge near edge X-ray absorption fine structures of O and OH overlayers on Pt(111) (Articolo in rivista) (Prodotto della ricerca)
• Time Dependent Density Functional Theory Study of the Absorption Spectrum of [Ru(4,4'-COOH-2,2'-bpy)2(NCS)2] in Water Solution: influence of the pH (Articolo in rivista) (Prodotto della ricerca)
• Vacuum ultraviolet photoionization and ab initio Investigations of methyl tert-butyl ether (MTBE) clusters and MTBE-water clusters (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Disentangling the complex line profiles in the Cl 2p photoelectron spectra of Cl-2 (Articolo in rivista) (Prodotto della ricerca)
• Silicon nanowires grown on Si (100) substrates via thermal reactions with carbon nanoparticles (Articolo in rivista) (Prodotto della ricerca)
• Effect of translational kinetics on chemical rates in a Direct Simulation Monte Carlo model gas phase detonation (Articolo in rivista) (Prodotto della ricerca)
• An indirect approach to the determination of the nuclear quadrupole moment by 4-component relativistic DFT in molecular calculations (Articolo in rivista) (Prodotto della ricerca)
• OODR-LIF direct measurement of N2(C3Pu, v=0..4) electronic quenching and vibrational relaxation rate coefficients by N2 collision (Articolo in rivista) (Prodotto della ricerca)
• Oxidation of CH4 by CO2 in a dielectric barrier discharge (Articolo in rivista) (Prodotto della ricerca)
• Competition Between Transport Phenomena in a reaction-diffusion-convection System (Articolo in rivista) (Prodotto della ricerca)
• Experimental and theoretical study of resonant Auger decay of core-excited NO2 (Articolo in rivista) (Prodotto della ricerca)
• A DFT investigation of base-catalyzed beta-elimination reactions in water solution for systems activated by the pyridine ring: Theory vs. experiment (Articolo in rivista) (Prodotto della ricerca)
• Acid-base chemistry of luteolin and its methyl-ether derivatives: A DFT and ab initio investigation (Articolo in rivista) (Prodotto della ricerca)
• Improvement in hydrogen bond description using van der Waals-corrected DFT: The case of small water clusters (Articolo in rivista) (Prodotto della ricerca)
• Freezing of silver nanodroplets (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Molecular dynamics of C-peptide of ribonuclease A studied by replica-exchange Monte Carlo method and diffusion theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Selected chemical-physical properties and structural heterogeneities in 1-ethyl-3-methylimidazolium alkyl-sulfate room temperature ionic liquids (Articolo in rivista) (Prodotto della ricerca)
• Steering in non-dissociative chemisorption: Ethylene on Ag(4 1 0) (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• CO2 entrapment in natural ultramarine blue (Articolo in rivista) (Prodotto della ricerca)
• Optical-optical double resonance LIF measurements of N2(C3Pu, v=2) deactivation rate constant by N2 collision (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Photofragmentation of C-60 in seeded supersonic molecular beams: Effects of ro-vibrational cooling (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electroabsorption study of excited states in tris 8-hydroxyquinoline aluminum complex (Articolo in rivista) (Prodotto della ricerca)
• Sensitised green emission in an electrically active polymer doped with a fluorinated acridine (Articolo in rivista) (Prodotto della ricerca)
• The influence of water-ethanol mixture on the thermodynamics of complex formation between 18-crown-6 ether and L-phenylalanine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Conformational analysis and optical characterization of oligothiophene inclusion compounds (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electronic properties and stability of graphene nanoribbons: An interpretation based on Clar sextet theory (Articolo in rivista) (Prodotto della ricerca)
• Analysis of valence orbitals in the 'core' regions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The partial C 1s Auger spectrum of CO obtained by photoelectron-Auger electron coincidence experiments (Articolo in rivista) (Prodotto della ricerca)
• Small Au clusters on a defective MgO(100) surface (Articolo in rivista) (Prodotto della ricerca)
• Novel insight into the alignment and structural ordering of supported ZnO nanorods (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Interacting electrons in the solid state: the role of orbital relaxation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Density-functional calculations of NMR shielding constants using the localized Hartree-Fock method (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Optical properties of anthocyanins in the gas phase (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Overlapping and non-overlapping integrals in molecular calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Gas-phase ion chemistry of BF3/CH4 mixtures: Activation of methane by BF2+ ions (Articolo in rivista) (Prodotto della ricerca)
• A Monte Carlo model for the non-equilibrium coherent kinetics of ensembles of two level systems (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Density functional calculations on hydrocarbon isodesmic reactions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Third-order optical non-linearities in titanium bis-phthalocyanine/toluene solutions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Ion kinetic energy distributions and cross sections for the electron impact ionization of ethyl tert-butyl ether (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Broadening of vibrational levels in X-ray absorption spectroscopy of molecular nitrogen in compound semiconductors (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A discrete/continuum QM/MM/MD study of the triplet state of acetone in aqueous solution (Articolo in rivista) (Prodotto della ricerca)
• 2D vs. 3D titanium dioxide: Role of dispersion interactions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Orthoaxial single crystal X-ray circular and linear dichroism of the 1s3d transition of 2NaCl6H2O: Measurement of the absolute values of the quadrupole and dipole contributions to the intensity of a pre-edge transition (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Revisiting the potential energy surface for the He + H2+ --> HeH+ + H reaction at the full configuration interaction level (Articolo in rivista) (Prodotto della ricerca)
• Structure and ESR features of a radiation-induced radical in a-glycine crystals (Articolo in rivista) (Prodotto della ricerca)
• Theoretical study of spiropyran-merocyanine thermal isomerization. (Articolo in rivista) (Prodotto della ricerca)
• Simultaneous in situ AFM/EDXR techniques for thin films time-resolved morphological studies (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Selective excitation of the npsigma Sigma_u^+ and nppi Pi_u to E,F 1Sigma_g^+ emission systems in molecular hydrogen using synchrotron radiation (Articolo in rivista) (Prodotto della ricerca)
• The Cotton-Mouton effect of gaseos N2, CO, CO2, N2O, OCS and CS2: a density functional approach to high-order mixed electric and magnetic properties (Articolo in rivista) (Prodotto della ricerca)
• Time-resolved morphological study of organic thin film solar cells based on calcium/aluminium cathode material (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Oxidative addition of sih4 to Pt(PH3)2: a dynamical density study (Articolo in rivista) (Prodotto della ricerca)
• Dissociative electron impact ionization of methyl tert-buthyl ether: total ionization cross section and kinetic energy distributions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Photoelectron spectroscopy of Ce(eta-C5H5)(3) - Accessing two ion states on 4f ionization (Articolo in rivista) (Prodotto della ricerca)
• Optical spectroscopy diagnostics and thin film deposition of laser ablated rare earth-Ni2B2C plasma plumes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Time dependent density functional theory of core electrons excitations (Articolo in rivista) (Prodotto della ricerca)
• A molecular dynamics study on the conformational stability of PrP 180-193 helix II prion fragment (Articolo in rivista) (Prodotto della ricerca)
• ULTRAFAST EXCITON DYNAMICS IN A POLYMERIC HETEROSTRUCTURE BASED ON THIENYLENE-PHENYLENE SEQUENCES (Articolo in rivista) (Prodotto della ricerca)
• Modelling the effect of osmolytes on peptide mechanical unfolding (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A new monomeric interpretation of intrinsic optical bistability observed in Yb3+ - doped bromide materials. (Articolo in rivista) (Prodotto della ricerca)
• A fluctuating environment as a source of periodic modulation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Thermal collapse of snowflake fractals (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• beta-Cyclodextrin interactions with three drugs used in inflammatory pathologies: An experimental and theoretical study (Articolo in rivista) (Prodotto della ricerca)
• Keesom coefficients in gases (Articolo in rivista) (Prodotto della ricerca)
• Synthesis, characterization and photocatalytic performance of transition metal tungstates (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Rigorous quantum treatment of inelastic neutron scattering spectra of a heteronuclear diatomic molecule in a nanocavity: HD in the small cage of structure II clathrate hydrate (Articolo in rivista) (Prodotto della ricerca)
• Frozen Density Embedding Calculations with the Orbital-Dependent Localized Hartree-Fock Kohn-Sham Potential (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• X-ray emission-photoion coincidence spectroscopy of the CO2 molecule at the O 1s edge (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the solvation of (quasi-)degenerate solutes: a continuum analysis based on perturbation-response theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The implementation of density functional theory within the polarizable continuum model for solvation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Partial electron yield spectrum of N2: doubly excited states at the K-shell threshold (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Far Infrared Phonons of Solid Iodine under Pressure (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• An ab initio method for computing multi-atom resonant photoemission (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Photoionisation and structures of jet-formed toluene clusters (Articolo in rivista) (Prodotto della ricerca)
• Absolute pka determination for carboxylic acids using Density Functional Theory and the Polarizable Continuum Model (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Experimental and QM/MM investigation of the hydrated silica surface reactivity (Articolo in rivista) (Prodotto della ricerca)
• Picosecond dynamics of gas-phase dimers in liquid carbon dioxide (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Relativistic effects on the electric polarizabilities and their geometric derivatives for hydrogen halides and dihalogens - A Dirac-Hartree-Fock study. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The role of association in the dielectric behaviour of methanol/carbon tetrachloride mixtures (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Picosecond Transient Circular Dichroism of the Photoreceptor Protein of the Light-Adapted Form of Blepharisma japonicum (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Interstitial O-3 in silica: a molecular cluster density functional study (Articolo in rivista) (Prodotto della ricerca)
• Modeling enzymatic processes: A molecular simulation analysis of the origins of regioselectivity (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Collective and molecular motions of fluorinated liquid crystals by means of F-19 Fast Field-Cycling NMR relaxometry (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Fluorescence resonance energy transfer induced by conjugation of metalloproteins to nanoparticles (Articolo in rivista) (Prodotto della ricerca)
• Fluorine K-shell photoelectron angular distribution from CF4 molecules in the molecular frame (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Theoretical study on the photoabsorption of MAu12- (M = V, Nb and Ta) (Articolo in rivista) (Prodotto della ricerca)
• Improved structural/morphological durability for organic solar cells based on poly(3-hexylthiophene) fibers photoactive layers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• High-resolution study of resonant decay following the O 1s->pi* excitation(s) in CO2: evidence for an overlapping Rydberg transition (Articolo in rivista) (Prodotto della ricerca)
• Evidence of photoinduced charge transfer in C-60/GaAs(100) bilayers by pump-probe measurements (Articolo in rivista) (Prodotto della ricerca)
• Vibrationally resolved oxygen K->pi* spectra of O and CO (Articolo in rivista) (Prodotto della ricerca)
• Morphology and optical properties of MgO thin films on Mo(001) (Articolo in rivista) (Prodotto della ricerca)
• Comment on: \"Valence ionization of l-proline amino acid: Experimental and theoretical study\" by F. Fathi, H. Farrokhpour, Chem. Phys. Lett. 565 (2013) 102 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Intra-chain exciton generation by charge recombination in substituted polyacetylenes (Articolo in rivista) (Prodotto della ricerca)
• Sternheimer shieldings and EFG polarizabilities: a density-functional theory study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Torsional potential of pi-conjugated molecules using the localized Hartree-Fock Kohn-Sham exchange potential (Articolo in rivista) (Prodotto della ricerca)
• Relaxation processes in thiophene-based random copolymers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Structures of small Pd-Au clusters adsorbed on stepped MgO(100): A density-functional study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Jump diffusion in the strong-collision model on a two-dimensional triangular lattice (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Tunable sulfur desorption in exfoliated MoS2 by means of thermal annealing in ultra-high vacuum (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Discriminating bulk, surface and interface aging effects in polymer-based active materials for efficient photovoltaic devices (Articolo in rivista) (Prodotto della ricerca)
• Critical analysis of the spin-rotation constants of CF2 and CCl2: a theoretical investigation (Articolo in rivista) (Prodotto della ricerca)
• Theoretical study of a molecular junction with asymmetric current/voltage characteristic\", Chem. Phys. Lett. 549 (2012) 1 (Articolo in rivista) (Prodotto della ricerca)
• Photophysics of Ru (II) and Os(II)-polypyridine complexes in poly(ethyleneoxide) matrices (Articolo in rivista) (Prodotto della ricerca)
• Gas-surface scattering models for Particle Fluid Dynamics: a comparison between analytical approximate models and Molecular Dynamics calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Potential energy curves of the quasi-stable states of CO2+ determined using Auger spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Structural/morphological monitoring approach to stability and durability issues of photoactive films for organic solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Computational characterization of the HOMO-2 photoemission intensity oscillations in C-60 (Articolo in rivista) (Prodotto della ricerca)
• Growth of zinc hollow nanofibers and nanotubes by thermal evaporation-condensation-deposition route (Articolo in rivista) (Prodotto della ricerca)
• Mechanisms for the growth of polycyclic aromatic hydrovarbon (PAH) cations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electronic structure of SrTi1-xMxO3-? (M = Co, Ni, Cu) perovskite-type doped-titanate crystals by DFT and DFT + U calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• An Oligopeptide Doubly-Labelled With an Azulene Chromophore and a TEMPO Radical. Azulene Triplet Generation by Enhanced ISC from S2. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the relaxation of electron energy distribution function in LIBS plasmas (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Oxidative addition of SiH4 to Pt(PH3)2: a dynamical density functional study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Sulfur Hexafluoride Corona Discharge Decomposition: Gas-Phase Ion Chemistry of SOFx+ (X = 1-3 )Ions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• AB-INITIO RO-VIBRATIONAL LEVELS OF H-3(+) BEYOND THE BORN-OPPENHEIMER APPROXIMATION (Articolo in rivista) (Prodotto della ricerca)
• A plane wave implementation of the polarizable continuum model (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Toward a reliable computatinal support to the spectroscopic characterization of excited state intramolecular proton transfer: [2,2'-bipyridine]-3,3'-diol as a test case. (Articolo in rivista) (Prodotto della ricerca)
• Structural Features of a Cationic Gemini Surfactant at Full Hydration Investigated by Energy Dispersive X- ray Diffraction (Articolo in rivista) (Prodotto della ricerca)
• Vibrational coherence in Azurin with impulsive excitation of the LMCT absorption band (Articolo in rivista) (Prodotto della ricerca)
• Orientational order of liquid crystals by 11B NMR spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Optical Properties od Novel Er-Containing co-polymers with Emission at 1530 nm (Articolo in rivista) (Prodotto della ricerca)
• A spectroscopic study of the optical properties of a nitrobenzoxadiazole derivative in solution: The role of specific interactions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A TDDFT Study of the Ruthenium(II) Polyazaaromatic Complex [Ru(dppz)(phen)2]2+ in solution (Articolo in rivista) (Prodotto della ricerca)

Alternative label

• Chemical physics letters (literal)
• Chem. phys. lett. (literal)

Language

• eng (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#issn

• 0009-2614 (literal)

Preferred label

• Chemical physics letters (literal)

Publisher

• North-Holland Amsterdam : NLD (literal)

Incoming links:

Rivista

• A preliminary investigation on reinforced double layer Nafion membranes for high temperature PEFCs application (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Disentangling the complex line profiles in the Cl 2p photoelectron spectra of Cl-2 (Articolo in rivista) (Prodotto della ricerca)
• Relating structure with morphology: A comparative study of perfect Langmuir-Blodgett multilayers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A novel parametrization scheme for classical and quantum mechanical simulations of large, floppy molecular systems (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Photoelectron spectroscopy of Ce(eta-C5H5)(3) - Accessing two ion states on 4f ionization (Articolo in rivista) (Prodotto della ricerca)
• Fluorescence resonance energy transfer induced by conjugation of metalloproteins to nanoparticles (Articolo in rivista) (Prodotto della ricerca)
• Intra-chain exciton generation by charge recombination in substituted polyacetylenes (Articolo in rivista) (Prodotto della ricerca)
• Morphology and optical properties of MgO thin films on Mo(001) (Articolo in rivista) (Prodotto della ricerca)
• High pressure small-angle neutron scattering study of the aggregation state of beta-lactoglobulin in water and in water/ethylene-glycol solutions (Articolo in rivista) (Prodotto della ricerca)
• Separate dynamics of solute and solvent in water-glucose solutions by depolarized light scattering (Articolo in rivista) (Prodotto della ricerca)
• Singlet excited state dynamics of uracil and thymine derivatives. A femtosecond fluorescence upconversion study in acetonitrile (Articolo in rivista) (Prodotto della ricerca)
• The role of the Cys2-Cys7 disulfide bridge on the early steps of Islet Amyloid Polypeptide aggregation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• An Oligopeptide Doubly-Labelled With an Azulene Chromophore and a TEMPO Radical. Azulene Triplet Generation by Enhanced ISC from S2. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Modeling enzymatic processes: A molecular simulation analysis of the origins of regioselectivity (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• In-catalyzed growth of high-purity indium oxide nanowires (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• 3H NMR of the tritiated isotopologues of methine in nematic liquid-crystal solvents (Articolo in rivista) (Prodotto della ricerca)
• Hydrogen atom recombination on graphite at 10K via the Eley-Rideal mechanism (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Effect of translational kinetics on chemical rates in a Direct Simulation Monte Carlo model gas phase detonation (Articolo in rivista) (Prodotto della ricerca)
• Silicon nanowires grown on Si (100) substrates via thermal reactions with carbon nanoparticles (Articolo in rivista) (Prodotto della ricerca)
• OODR-LIF direct measurement of N2(C3Pu, v=0..4) electronic quenching and vibrational relaxation rate coefficients by N2 collision (Articolo in rivista) (Prodotto della ricerca)
• Optical-optical double resonance LIF measurements of N2(C3Pu, v=2) deactivation rate constant by N2 collision (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The partial C 1s Auger spectrum of CO obtained by photoelectron-Auger electron coincidence experiments (Articolo in rivista) (Prodotto della ricerca)
• Revisiting the potential energy surface for the He + H2+ --> HeH+ + H reaction at the full configuration interaction level (Articolo in rivista) (Prodotto della ricerca)
• Photoionisation and structures of jet-formed toluene clusters (Articolo in rivista) (Prodotto della ricerca)
• Short-range interactions in ground state H+2 using fluctuation theory techniques (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A new monomeric interpretation of intrinsic optical bistability observed in Yb3+ - doped bromide materials. (Articolo in rivista) (Prodotto della ricerca)
• Picosecond Transient Circular Dichroism of the Photoreceptor Protein of the Light-Adapted Form of Blepharisma japonicum (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Vibrational coherence in Azurin with impulsive excitation of the LMCT absorption band (Articolo in rivista) (Prodotto della ricerca)
• Structural Features of a Cationic Gemini Surfactant at Full Hydration Investigated by Energy Dispersive X- ray Diffraction (Articolo in rivista) (Prodotto della ricerca)
• Optical Properties od Novel Er-Containing co-polymers with Emission at 1530 nm (Articolo in rivista) (Prodotto della ricerca)
• Autoionisation of superexcited states to the N2+ B state in N2 (Articolo in rivista) (Prodotto della ricerca)
• Reactivity enhanced by under-barrier tunneling and resonances:the F+ + H2 -- HF + H reaction (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Linestrength of oxygen's atmospheric transitions from absorption data. II.The 1.27- microm transition (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electron Impact Ionization Cross Sections of Vibrationnally and Electronically Oxygen Molecules (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• QCT Calculations for the process N2(v)+N--->N2(v )+N in the whole vibrational range (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• onization of excited nitrogen molecules by electron impact (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Role and Importance of Nanoparticles in Femtosecond Pulsed Laser Ablation Deposition of Al-Cu-Fe Quasicrystal (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Tautomerism in 5-methyltetrazole investigated by core-level photoelectron spectroscopy and DSCF calculations (Articolo in rivista) (Prodotto della ricerca)
• Fluorine K-shell photoelectron angular distribution from CF4 molecules in the molecular frame (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Theoretical study on the photoabsorption of MAu12- (M = V, Nb and Ta) (Articolo in rivista) (Prodotto della ricerca)
• Evidence of photoinduced charge transfer in C-60/GaAs(100) bilayers by pump-probe measurements (Articolo in rivista) (Prodotto della ricerca)
• Theoretical study of spiropyran-merocyanine thermal isomerization. (Articolo in rivista) (Prodotto della ricerca)
• Absolute pka determination for carboxylic acids using Density Functional Theory and the Polarizable Continuum Model (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• An NMR and molecular dynamics investigation of the avian prion hexarepeat conformational features in solution (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Orientational order of liquid crystals by 11B NMR spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Far Infrared Phonons of Solid Iodine under Pressure (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Ultrafast photoinduced ring-closure dynamics of a diarylethene polymer (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Probing of bound electron-hole-pairs by optical reexcitation in a short-chain oligomer charge carrier. (Articolo in rivista) (Prodotto della ricerca)
• Alignment of ethylene molecules in supersonic seeded expansions probed by infrared polarized laser absorption and by molecular beam scattering (Articolo in rivista) (Prodotto della ricerca)
• Freezing of silver nanodroplets (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Steering in non-dissociative chemisorption: Ethylene on Ag(4 1 0) (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Direct simulation of non-equilibrium kinetics under shock conditions in nitrogen (Articolo in rivista) (Prodotto della ricerca)
• Quasiclassical trajectory calculations of vibrationally specific dissociation cross-sections and rate constants for the reaction O+O2(v)->3O (Articolo in rivista) (Prodotto della ricerca)
• Electronically excited states and transport properties of thermal plasmas: the viscosity (Articolo in rivista) (Prodotto della ricerca)
• Linestrength of oxygen's atmospheric transitions from absorption data. I . The A, B, and y bands (Articolo in rivista) (Prodotto della ricerca)
• Accurate bond valence parameters for M-O bonds (M=C,N,La,Mo,V) (Articolo in rivista) (Prodotto della ricerca)
• Monte Carlo Simulation of Lignt Scattering Spectra in Atomic Gases (Articolo in rivista) (Prodotto della ricerca)
• NH3(V2) inversion doubling and two-mode interaction of PH3(V 4,V2) in V-V energy transfer with PH2(X2B1;v\"2=1) (Articolo in rivista) (Prodotto della ricerca)
• Classical transport collision integrals for a Lennard-Jones like phenomenological model potential (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The Relaxation of vibrationally excited O2 molecules by atomic oxygen (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Photo-double ionization of water studied by threshold photoelectrons coincidence spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Guest species trapped inside carbon nanotubes (Articolo in rivista) (Prodotto della ricerca)
• Growth of zinc hollow nanofibers and nanotubes by thermal evaporation-condensation-deposition route (Articolo in rivista) (Prodotto della ricerca)
• Sternheimer shieldings and EFG polarizabilities: a density-functional theory study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Critical analysis of the spin-rotation constants of CF2 and CCl2: a theoretical investigation (Articolo in rivista) (Prodotto della ricerca)
• Potential energy curves of the quasi-stable states of CO2+ determined using Auger spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Vibronically-induced chirality change in molecules revealed by electronic circular dichroism spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments (Articolo in rivista) (Prodotto della ricerca)
• A critical analysis of the structure and vibrational frequencies of F2NO+ and Cl2NO+ from accurate quantum chemical computations (Articolo in rivista) (Prodotto della ricerca)
• Accurate and feasible computations of structural and magnetic properties of large free radicals: the PBE0/N07D model (Articolo in rivista) (Prodotto della ricerca)
• Implementation and validation of DFT-D for molecular vibrations and dynamics: the benzene dimer as a case study (Articolo in rivista) (Prodotto della ricerca)
• Simulation of vacancy diffusion in a silver nanocluster (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• An ab Initio Investigation of the He-H2O Complex (Articolo in rivista) (Prodotto della ricerca)
• Experimental Study of the Second-Order Non-Linear Optical Properties of Tetrathia-[7]-Helicene (Articolo in rivista) (Prodotto della ricerca)
• Time dependent density functional theory study of the absorption spectrum of the [Ru(4,4?-COO--2,2?-bpy)2(X)2]4- (X = NCS, Cl) dyes in water solution (Articolo in rivista) (Prodotto della ricerca)
• Looking for structural phase transitions in the colossal magnetoresistive thiospinel FeCr2S4, by a multi-temperature single-crystal X-ray diffraction study (Articolo in rivista) (Prodotto della ricerca)
• Time Dependent Density Functional Theory Study of the Absorption Spectrum of [Ru(4,4'-COOH-2,2'-bpy)2(NCS)2] in Water Solution: influence of the pH (Articolo in rivista) (Prodotto della ricerca)
• Electronic properties and stability of graphene nanoribbons: An interpretation based on Clar sextet theory (Articolo in rivista) (Prodotto della ricerca)
• Gas-phase ion chemistry of BF3/CH4 mixtures: Activation of methane by BF2+ ions (Articolo in rivista) (Prodotto della ricerca)
• Electric field effect on luminescence and photoconduction in electron donor-electron acceptor organic solid films (Articolo in rivista) (Prodotto della ricerca)
• Electric field and charge induced quenching of luminescence in electroluminescent emitters based on lanthanide complexes (Articolo in rivista) (Prodotto della ricerca)
• Nucleophilic and electrophilic radical attack on maleic and fumaric acids in aqueous solution (Articolo in rivista) (Prodotto della ricerca)
• Third-order optical non-linearities in titanium bis-phthalocyanine/toluene solutions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Orthoaxial single crystal X-ray circular and linear dichroism of the 1s3d transition of 2NaCl6H2O: Measurement of the absolute values of the quadrupole and dipole contributions to the intensity of a pre-edge transition (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Time-resolved morphological study of organic thin film solar cells based on calcium/aluminium cathode material (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Structural/morphological monitoring approach to stability and durability issues of photoactive films for organic solar cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Keesom coefficients in gases (Articolo in rivista) (Prodotto della ricerca)
• Order-disorder phase boundary between ice VII and VIII obtained by first principles (Articolo in rivista) (Prodotto della ricerca)
• An ab initio method for computing multi-atom resonant photoemission (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The role of association in the dielectric behaviour of methanol/carbon tetrachloride mixtures (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Relativistic effects on the electric polarizabilities and their geometric derivatives for hydrogen halides and dihalogens - A Dirac-Hartree-Fock study. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Response theory calculations of two-photon circular dichroism (Articolo in rivista) (Prodotto della ricerca)
• Dynamical suppression of atomic peaks in resonant dissociative photoemission (Articolo in rivista) (Prodotto della ricerca)
• Photoelectron spectroscopy (PES) study of gas-phase 2,5-(2,2'-dithienyl)diethynyl-thiophene (TRIM): an experimental and theoretical study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Morphology of 1-alkyl-3-methylimidazolium hexafluorophosphate room temperature ionic liquids (Articolo in rivista) (Prodotto della ricerca)
• Structural and conformational investigation of nemorosone: a combined X ray and ab initio study (Articolo in rivista) (Prodotto della ricerca)
• Microsolvation of the Zn(II) ion in aqueous solution: an hybrid QM/MM MD approach using non-periodic boundary conditions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Oxidative addition of sih4 to Pt(PH3)2: a dynamical density study (Articolo in rivista) (Prodotto della ricerca)
• Experimental and QM/MM investigation of the hydrated silica surface reactivity (Articolo in rivista) (Prodotto della ricerca)
• Interstitial O-3 in silica: a molecular cluster density functional study (Articolo in rivista) (Prodotto della ricerca)
• A TDDFT Study of the Ruthenium(II) Polyazaaromatic Complex [Ru(dppz)(phen)2]2+ in solution (Articolo in rivista) (Prodotto della ricerca)
• Role of defects on the gas sensing properties of carbon nanotubes thin films: experiment and theory (Articolo in rivista) (Prodotto della ricerca)
• Time-dependent and coupled-perturbed DFT and HF investigations on the absorption spectrum and non-linear optical properties of push-pull M(II)-porphyrin complexes (M = Zn, Cu, Ni) (Articolo in rivista) (Prodotto della ricerca)
• The functionalization of (5,5), (9,0), and (10,0) single wall carbon nanotubes by CHn fragments (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Interaction components in the hydrogen halide dications (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• New bonding mode of CO on stepped MgO surfaces from density functional cluster model calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Using the Source Function descriptor to dampen the multipole model bias in charge density studies from X-ray structure factors refinements (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Direct vs. indirect injection mechanisms in perylene dye-sensitized solar cells: A DFT/TDDFT investigation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Magnetic field effects on emission and current in Alq3-based electroluminescent diodes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the kinetics and mechanism of the oxidation of I- by ·OH/O·- in alkaline aqueous solution. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Reaction of 2-hydroxy-2-propyl radical with maleic and fumaric acids in aqueous solution: pH dependence (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electro-photoluminescence in organics (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Discriminating bulk, surface and interface aging effects in polymer-based active materials for efficient photovoltaic devices (Articolo in rivista) (Prodotto della ricerca)
• Toward a reliable computatinal support to the spectroscopic characterization of excited state intramolecular proton transfer: [2,2'-bipyridine]-3,3'-diol as a test case. (Articolo in rivista) (Prodotto della ricerca)
• Molecular dynamics of C-peptide of ribonuclease A studied by replica-exchange Monte Carlo method and diffusion theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Sensitised green emission in an electrically active polymer doped with a fluorinated acridine (Articolo in rivista) (Prodotto della ricerca)
• beta-Cyclodextrin interactions with three drugs used in inflammatory pathologies: An experimental and theoretical study (Articolo in rivista) (Prodotto della ricerca)
• Evaluating the magnetic anisotropy in molecular rare earth compounds. Gadolinium derivatives with semiquinone radical and diamagnetic analogues (Articolo in rivista) (Prodotto della ricerca)
• Oxygen K-edge near edge X-ray absorption fine structures of O and OH overlayers on Pt(111) (Articolo in rivista) (Prodotto della ricerca)
• Experimental and theoretical study of resonant Auger decay of core-excited NO2 (Articolo in rivista) (Prodotto della ricerca)
• Small Au clusters on a defective MgO(100) surface (Articolo in rivista) (Prodotto della ricerca)
• A discrete/continuum QM/MM/MD study of the triplet state of acetone in aqueous solution (Articolo in rivista) (Prodotto della ricerca)
• Structure and ESR features of a radiation-induced radical in a-glycine crystals (Articolo in rivista) (Prodotto della ricerca)
• The Cotton-Mouton effect of gaseos N2, CO, CO2, N2O, OCS and CS2: a density functional approach to high-order mixed electric and magnetic properties (Articolo in rivista) (Prodotto della ricerca)
• Aggregation and interactions of C60 and C70 fullerenes in neat N-Methylpyrrolidinone and in N-Methylpyrrolidinone/toluene mixtures (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Detection and identification of TNT, 2,4-DNT and 2,6-DNT by near-infrared cavity ringdown spectroscopy. (Articolo in rivista) (Prodotto della ricerca)
• Mechanisms for the growth of polycyclic aromatic hydrovarbon (PAH) cations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Sulfur Hexafluoride Corona Discharge Decomposition: Gas-Phase Ion Chemistry of SOFx+ (X = 1-3 )Ions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Hyperfine coupling constants of dimethyl nitroxide in aqueous solution: Car-Parrinello molecular dynamics and discrete-continuum approaches (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• An indirect approach to the determination of the nuclear quadrupole moment by 4-component relativistic DFT in molecular calculations (Articolo in rivista) (Prodotto della ricerca)
• Acid-base chemistry of luteolin and its methyl-ether derivatives: A DFT and ab initio investigation (Articolo in rivista) (Prodotto della ricerca)
• A DFT investigation of base-catalyzed beta-elimination reactions in water solution for systems activated by the pyridine ring: Theory vs. experiment (Articolo in rivista) (Prodotto della ricerca)
• CO2 entrapment in natural ultramarine blue (Articolo in rivista) (Prodotto della ricerca)
• Novel insight into the alignment and structural ordering of supported ZnO nanorods (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• 2D vs. 3D titanium dioxide: Role of dispersion interactions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Organic electroluminescence from singlet and triplet exciplexes: Exciplex electrophosphorescent diode (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Evidence for elettric field dependent dissociation of exciplexes in electron donor-acceptor organic solid film (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Highly efficient exciplex phosphorescence from organic light-emitting diodes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A Circular Dichroism and Structural Study of the Inclusion Complex Artemisinin-beta-cyclodextrin (Articolo in rivista) (Prodotto della ricerca)
• Broadening of vibrational levels in X-ray absorption spectroscopy of molecular nitrogen in compound semiconductors (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Simultaneous in situ AFM/EDXR techniques for thin films time-resolved morphological studies (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Double photoionization of N2O molecules in the 28-40 eV energy range (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the formation of HRP compound I At high pH: new insight from ab initio molecular dynamics (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Van der Waals potential energy surface of CH2ClFCH2ClF···Xe (Articolo in rivista) (Prodotto della ricerca)
• Even parity states in small band gap p-conjugated polymers: polydithienothiophenes (Articolo in rivista) (Prodotto della ricerca)
• Synthesis, characterization and photocatalytic performance of transition metal tungstates (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Picosecond dynamics of gas-phase dimers in liquid carbon dioxide (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Ion kinetic energy distributions and cross sections for the electron impact ionization of ethyl tert-butyl ether (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Multi-frequency high-field EPR study of (H+)(e-) pairs localized at the surface of polycrystalline MgO (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Excited state intramolecular proton transfer in free base hemiporphyrazine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A molecular dynamics study on the conformational stability of PrP 180-193 helix II prion fragment (Articolo in rivista) (Prodotto della ricerca)
• Chemical composition of GaAs oxides grown by local anodic oxidation: a spatially resolved Auger study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A fluctuating environment as a source of periodic modulation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Self assembling monolayers of dialkynyl bridged Pd(II) thiols obtained by thermally induced multilayer desorption: Thermal and chemical stability investigated by SR-XPS (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Thermal collapse of snowflake fractals (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Collective and molecular motions of fluorinated liquid crystals by means of F-19 Fast Field-Cycling NMR relaxometry (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On N2(C3Piu, v=0)state lifetime and collisional deactivation rate by N2 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Suppression of the excimer photoluminescence in a poly(arylene-ethynylene) co-polymer (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Selected chemical-physical properties and structural heterogeneities in 1-ethyl-3-methylimidazolium alkyl-sulfate room temperature ionic liquids (Articolo in rivista) (Prodotto della ricerca)
• Van der Waals interactions in a monosolvated chiral fluorinated molecule: R2PI vibroelectronic spectra of (R)-1-phenyl-2,2,2-trifluoroethanol clustered with water (Articolo in rivista) (Prodotto della ricerca)
• A Monte Carlo model for the non-equilibrium coherent kinetics of ensembles of two level systems (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Torsional potential of pi-conjugated molecules using the localized Hartree-Fock Kohn-Sham exchange potential (Articolo in rivista) (Prodotto della ricerca)
• Improvement in hydrogen bond description using van der Waals-corrected DFT: The case of small water clusters (Articolo in rivista) (Prodotto della ricerca)
• Free jet absorption millimeter wave spectrum of purine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Frozen Density Embedding Calculations with the Orbital-Dependent Localized Hartree-Fock Kohn-Sham Potential (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• X-ray emission-photoion coincidence spectroscopy of the CO2 molecule at the O 1s edge (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Competition Between Transport Phenomena in a reaction-diffusion-convection System (Articolo in rivista) (Prodotto della ricerca)
• Free jet absorption millimeter wave spectrum of 2,4'-dipyridyl (Articolo in rivista) (Prodotto della ricerca)
• Oxidative addition of SiH4 to Pt(PH3)2: a dynamical density functional study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A plane wave implementation of the polarizable continuum model (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• An indirect approach to the determination of the nuclear quadrupole moment by four-component relativistic DFT in molecular calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Dissociative electron impact ionization of methyl tert-buthyl ether: total ionization cross section and kinetic energy distributions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Photoemission and the shape of amino acids (Articolo in rivista) (Prodotto della ricerca)
• Density-functional calculations of NMR shielding constants using the localized Hartree-Fock method (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Synthesis, characterization and photocatalytic activity of NiO-Bi2O3 nanocomposites (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The influence of water-ethanol mixture on the thermodynamics of complex formation between 18-crown-6 ether and L-phenylalanine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Theoretical study of a molecular junction with asymmetric current/voltage characteristic\", Chem. Phys. Lett. 549 (2012) 1 (Articolo in rivista) (Prodotto della ricerca)
• A dynamical density functional study of CO migration in the Reppe carbonylation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Time dependent density functional theory of core electrons excitations (Articolo in rivista) (Prodotto della ricerca)
• Vibrationally resolved oxygen K->pi* spectra of O and CO (Articolo in rivista) (Prodotto della ricerca)
• Rigorous quantum treatment of inelastic neutron scattering spectra of a heteronuclear diatomic molecule in a nanocavity: HD in the small cage of structure II clathrate hydrate (Articolo in rivista) (Prodotto della ricerca)
• Reply to \"Comment on: Photofragmentation of C-60 in seeded supersonic molecular beams: effects of ro-vibrational cooling (Articolo in rivista) (Prodotto della ricerca)
• Vacuum ultraviolet photoionization and ab initio Investigations of methyl tert-butyl ether (MTBE) clusters and MTBE-water clusters (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Photofragmentation of C-60 in seeded supersonic molecular beams: Effects of ro-vibrational cooling (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• AB-INITIO RO-VIBRATIONAL LEVELS OF H-3(+) BEYOND THE BORN-OPPENHEIMER APPROXIMATION (Articolo in rivista) (Prodotto della ricerca)
• Exciton dynamics in an aromatic diamine at the interface with 8-hydroxyquinoline aluminum (Articolo in rivista) (Prodotto della ricerca)
• Tracing photoinduced electron transfer process in conjugated polymer/fullerene bulk heterojunctions in real time (Articolo in rivista) (Prodotto della ricerca)
• Simulation of One-Dimensional Magnetic Resonance Powder Line Shapes Reduced to Area Computation (Articolo in rivista) (Prodotto della ricerca)
• ULTRAFAST EXCITON DYNAMICS IN A POLYMERIC HETEROSTRUCTURE BASED ON THIENYLENE-PHENYLENE SEQUENCES (Articolo in rivista) (Prodotto della ricerca)
• IS THE CORE PHOTOELECTRON BAND OF NEON ASYMMETRIC OR NOT (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Analysis of valence orbitals in the 'core' regions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Overlapping and non-overlapping integrals in molecular calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Interacting electrons in the solid state: the role of orbital relaxation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Density functional calculations on hydrocarbon isodesmic reactions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Selective excitation of the npsigma Sigma_u^+ and nppi Pi_u to E,F 1Sigma_g^+ emission systems in molecular hydrogen using synchrotron radiation (Articolo in rivista) (Prodotto della ricerca)
• Partial electron yield spectrum of N2: doubly excited states at the K-shell threshold (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electronic structure of SrTi1-xMxO3-? (M = Co, Ni, Cu) perovskite-type doped-titanate crystals by DFT and DFT + U calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Relaxation processes in thiophene-based random copolymers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Calculation of refractive indices and local electric field tensors in alpha-sexithiophene crystal (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Optical spectroscopy diagnostics and thin film deposition of laser ablated rare earth-Ni2B2C plasma plumes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the evaluation of matrix elements between slater determinants orthogonal among themselves (Articolo in rivista) (Prodotto della ricerca)
• The implementation of density functional theory within the polarizable continuum model for solvation (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the solvation of (quasi-)degenerate solutes: a continuum analysis based on perturbation-response theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• ABSORPTION TAIL PHOTOCONDUCTIVITY IN SOLID FILMS OF C-60 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Ground state proton dynamics in stable phases of water (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Gas-surface scattering models for Particle Fluid Dynamics: a comparison between analytical approximate models and Molecular Dynamics calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the relaxation of electron energy distribution function in LIBS plasmas (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Conformational analysis and optical characterization of oligothiophene inclusion compounds (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Energy Transfer in Nanostructured Oligothiophene Inclusion Compounds (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Photophysics of Ru (II) and Os(II)-polypyridine complexes in poly(ethyleneoxide) matrices (Articolo in rivista) (Prodotto della ricerca)
• Vibrational analysis from linear response theory (Articolo in rivista) (Prodotto della ricerca)
• Study on sulphonated polysulphone/polyurethane blend membranes for fuel cell applications (Articolo in rivista) (Prodotto della ricerca)
• High-resolution study of resonant decay following the O 1s->pi* excitation(s) in CO2: evidence for an overlapping Rydberg transition (Articolo in rivista) (Prodotto della ricerca)
• Electroabsorption study of excited states in tris 8-hydroxyquinoline aluminum complex (Articolo in rivista) (Prodotto della ricerca)
• Modelling the effect of osmolytes on peptide mechanical unfolding (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Oxidation of CH4 by CO2 in a dielectric barrier discharge (Articolo in rivista) (Prodotto della ricerca)
• Evidences of Long Lived Cages in Functionalized Polymers:Effects on Chromophore Dynamic and Spectroscopic Properties (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Tunable sulfur desorption in exfoliated MoS2 by means of thermal annealing in ultra-high vacuum (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A spectroscopic study of the optical properties of a nitrobenzoxadiazole derivative in solution: The role of specific interactions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Molecular modeling of the inhibition of protein-protein interactions with small molecules: The IL2-IL2R alpha case (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Improved structural/morphological durability for organic solar cells based on poly(3-hexylthiophene) fibers photoactive layers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Simulation study of CO2 adsorption properties in small Zeolite Imidazolate Frameworks (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Comment on: \"Valence ionization of l-proline amino acid: Experimental and theoretical study\" by F. Fathi, H. Farrokhpour, Chem. Phys. Lett. 565 (2013) 102 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Jump diffusion in the strong-collision model on a two-dimensional triangular lattice (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Structures of small Pd-Au clusters adsorbed on stepped MgO(100): A density-functional study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The absorption spectrum of C-60 in n-hexane solution revisited: Fitted experiment and TDDFT/PCM calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Carbonyl group generation on single-wall carbon nanotubes with nitric acid: A theoretical description (Articolo in rivista) (Prodotto della ricerca)
• Computational characterization of the HOMO-2 photoemission intensity oscillations in C-60 (Articolo in rivista) (Prodotto della ricerca)
• Optical properties of anthocyanins in the gas phase (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• HIGH-RESOLUTION FOURIER-TRANSFORM SPECTROSCOPY OF THE NU(1) FUNDAMENTAL-BAND OF NITROSYL BROMIDE (Articolo in rivista) (Prodotto della ricerca)
• High-sensitivity detection of the rotation spectrum of HCl in the v=1 state by tunable FIR spectroscopy (Articolo in rivista) (Prodotto della ricerca)