http://www.cnr.it/ontology/cnr/individuo/rivista/ID186509
?The ?journal of physical chemistry. A
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- ?The ?journal of physical chemistry. A (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi
- Comprehensive Core-Level Study of the Effects of Isomerism, Halogenation, and Methylation on the Tautomeric Equilibrium of Cytosine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Monosolvation of R-1-Phenyl-2,2,2-trifluoroethanol with Amines: Configurational Effects on the Excitation, Ionization, and Fragmentation of Diastereomeric Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Quantum Zeno Effect in a Model Multilevel Molecule (Articolo in rivista) (Prodotto della ricerca)
- Selective Vibrational Pumping of Molecular Hydrogen via Gas Phase Atomic Recombination (Articolo in rivista) (Prodotto della ricerca)
- Empty Level Structure and Dissociative Electron Attachment Cross Sections in Bromo and Chloro Dihaloalkanes (Articolo in rivista) (Prodotto della ricerca)
- X-ray Spectroscopy of Heterocyclic Biochemicals: Xanthine, Hypoxanthine, and Caffeine (Articolo in rivista) (Prodotto della ricerca)
- Computational spectroscopy of carbon monoxide isotopomers in helium Clusters (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Interplay between Amplified Spontaneous Emission, Forster Resonant Energy Transfer, and Self-Absorption in Hybrid Poly(9,9-dioctylfluorene)-CdSe/ZnS Nanocrystal Thin Films (Articolo in rivista) (Prodotto della ricerca)
- CuOx-TiO2 Photocatalysts for H2 Production from Ethanol and Glycerol Solutions (Articolo in rivista) (Prodotto della ricerca)
- Theoretical modeling of laser ablation of quaternary bronze alloys: case studies comparing femtosecond and nanosecond LIBS experimental data (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Empty level structure in phenyl and benzyl isocyanates (Articolo in rivista) (Prodotto della ricerca)
- Photoemission and photoabsorption spectroscopy of glycyl-glycine in the gas phase (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Isoelectronic series of oxygen deficient centres in silica: experimental estimation of homogeneous and inhomogeneous spectral widths. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Ion-Pairing of Octyl Viologen Diiodide in Low-Polar Solvents: An Experimental and Computational Study (Articolo in rivista) (Prodotto della ricerca)
- Raman Spectra of Ammonia Borane: The Low Frequency Lattice Modes (Articolo in rivista) (Prodotto della ricerca)
- Pyridine-CF4: A Molecule with a Rotating Cap (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Enolate structure and electron affinity (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- An MO-VB approach for the determination of intermolecular forces. Theory and calculations on the He2, He-CH4, and He-H2O systems (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Structural relaxation around Cr3+ in YAlO3-YCrO3 perovskites from electron absorption spectra (Articolo in rivista) (Prodotto della ricerca)
- Characterization of combustion-generated carbonaceous nanoparticles by size-dependent ultraviolet laser photoionization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Global Minimum Pt13M20 (M = Ag, Au, Cu, Pd) Dodecahedral Core-Shell Clusters (Articolo in rivista) (Prodotto della ricerca)
- Oxygen Adsorption on beta-Quartz Model Surfaces: Some Insights from Density Functional Theory Calculations and Semiclassical Time-Dependent Dynamics (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Energetics and Bonding in Aluminosilicate Rings with Alkali Metal and Alkaline-Earth Metal Charge-Compensating Cations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Adiabatic Potential Energy Surfaces for the Low-Energy Collisional Dynamics of C+(P-2) Ions with H-2 Molecules (Articolo in rivista) (Prodotto della ricerca)
- Quantum Stereodynamics for the Two Product Channels of the F + HD Reaction from the Complete Scattering Matrix in the Stereodirected Representation (Articolo in rivista) (Prodotto della ricerca)
- An experimental and theoretical core-level study of tautomerism in guanine (Articolo in rivista) (Prodotto della ricerca)
- Tautomerism in cytosine and uracil: An experimental and theoretical core level spectroscopic study (Articolo in rivista) (Prodotto della ricerca)
- Trajectory-Surface-Hopping Study of the Renner-Teller Effect in the N(2D) +H2 Reaction (Articolo in rivista) (Prodotto della ricerca)
- Excited state behavior of trans and cis isomers of stilbene and stiff-stilbene. A TD-DFT study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Stoichiometry-Dependent Chemical Activity of Supported MgO(100) Films (Articolo in rivista) (Prodotto della ricerca)
- Temporary anion states and dissociative electron attachment in diphenyl disulfide (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Investigation of the amino acids glycine, proline and methionine by photoemission spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- CH···O and CH···F Links Form the Cage Structure of Dioxane-Trifluoromethane (Articolo in rivista) (Prodotto della ricerca)
- A DFT study of the low-lying singlet excited states of the all-trans peridinin in vacuo (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Methylsalicylate: a rotational spectroscopy study (Articolo in rivista) (Prodotto della ricerca)
- Excited States of Porphyrin Macrocycles (Articolo in rivista) (Prodotto della ricerca)
- Photoelectron Spectra of Some Antibiotic Building Blocks: 2-Azetidinone and Thiazolidine-Carboxylic Acid (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Adsorption and Diffusion of Fe on a Titania Ultrathin Film (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Relative energy and structural differences of axial andequatorial 1-fluoro-1-silacyclohexane (Articolo in rivista) (Prodotto della ricerca)
- Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes (Articolo in rivista) (Prodotto della ricerca)
- DFT/TDDFT Study of the Adsorption of N3 and N719 Dyes on ZnO(101?0) Surfaces (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Charge Transfer and Penning Ionization of Dopants in or on Helium Nanodroplets Exposed to EUV Radiation (Articolo in rivista) (Prodotto della ricerca)
- Molecular Structure and Spectroscopic Signatures of Acrolein: Theory Meets Experiment (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Absorption Spectra, Photophysical Properties, and Redox Behavior of Ruthenium(II) Polypyridine Complexes Containing Accessory Dipyrromethene-BF2 Chromophores (Articolo in rivista) (Prodotto della ricerca)
- Investigation of Halogenated Pyrimidines by X-ray Photoemission Spectroscopy and Theoretical DFT Methods (Articolo in rivista) (Prodotto della ricerca)
- Electronic Circular Dichroism in Exciton-Coupled Dimers: Vibronic Spectra from a General All-Coordinates Quantum-Dynamical Approach (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Exciplexes with Ionic Dopants: Stability, Structure, and Experimental Relevance of M+(2P)4Hen (M = Sr, Ba) (Articolo in rivista) (Prodotto della ricerca)
- Excited-State Absorption and Ultrafast Relaxation Dynamics of Porphyrin, Diprotonated Porphyrin, and Tetraoxaporphyrin Dication (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Three-Fragment Counterpoise Correction of Potential Energy Curves for Proton Transfer Reactions (Articolo in rivista) (Prodotto della ricerca)
- Tautomerism in Cytosine and Uracil: A Theoretical and Experimental X-ray Absorption and Resonant Auger Study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Spin-orbit relativistic time dependent density functional calculations of the metal and ligand pre-edge XAS intensities of organotitanium complexes: TiC4, Ti(h5-C5H5)Cl3, and Ti(h5-C5H5)2Cl2 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Hydrated Complexes of Atmospheric Interest: Rotational Spectrum of Diacetyl-Water (Articolo in rivista) (Prodotto della ricerca)
- Two-Photon Circular Dichroism of an Axially Dissymmetric Diphosphine Ligand with Strong Intramolecular Charge Transfer (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Theory for vibrationally resolved two-photon circular dichroism spectra. Application to (R)-(+)-3-methylcyclopentanone (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Rotational Spectrum and Internal Dynamics of Methylpyruvate (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Relaxation Properties of Porphyrin, Diprotonated Porphyrin, and Isoelectronic Tetraoxaporphyrin Dication in the S2 State (Articolo in rivista) (Prodotto della ricerca)
- Infrared Investigations of 4-Hydroxycyanobenzene Single Crystals (Articolo in rivista) (Prodotto della ricerca)
- Two Dimensional Imaging of the Virtual Source of a Supersonic Beam: Helium at 125 K (Articolo in rivista) (Prodotto della ricerca)
- Evidence for long-range coulomb effects during formation of nanoparticle agglomerates from pyrolysis and combustion routes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Structures of Cycloserine and 2-Oxazolidinone Probed by X-ray Photoelectron Spectroscopy: Theory and Experiment (Articolo in rivista) (Prodotto della ricerca)
- Density functional theory study of the binding capability of tris(pyrazol-1-yl)methane toward Cu(I) and Ag(I) cations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Theoretical investigation of thiophene oligomers: A spin-coupled study (Articolo in rivista) (Prodotto della ricerca)
- Direct Space Representation of the Metallic Bond (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- DFT-Based Regioselectivity Criteria for Cycloaddition Reactions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Theoretical study of singlet and triplet excitation energies in oligothiophenes (Articolo in rivista) (Prodotto della ricerca)
- Complete C-13 NMR Chemical Shifts Assignment for Cholesterol Crystals by Combined CPMAS Spectral Editing and ab Initio GIPAW Calculations with Dispersion Forces (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- NIR Dual Luminescence from an Extended Porphyrin. Spectroscopy, Photophysics and Theory (Articolo in rivista) (Prodotto della ricerca)
- Theoretical study of singlet and triplet excitation energies in oligothiophenes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Toward a Density Functional Description of Liquid pH(2) (Articolo in rivista) (Prodotto della ricerca)
- 1,10-Phenanthrolines with Tunable Luminescence upon Protonation: A Spectroscopic and Computational Study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Density functional calculations on platinum nanoclusters: Pt_13, Pt_38 and Pt_55 (Articolo in rivista) (Prodotto della ricerca)
- Temporary anion states and dissociative electron attachment to isothiocyanates (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Experimental and theoretical study of the Br...N halogen bond in complexes of 1,4-dibromotetrafluorobenzene with dipyridyl derivatives (Articolo in rivista) (Prodotto della ricerca)
- Spatial Energetics of Protonated LiH: Lower-Lying Potential Energy Surfaces from Valence Bond Calculations (Articolo in rivista) (Prodotto della ricerca)
- Conformational effects on the optical rotation of alanine and proline (Articolo in rivista) (Prodotto della ricerca)
- Direct Images of the Virtual Source in a Supersonic Expansion (Articolo in rivista) (Prodotto della ricerca)
- Predicting 13C NMR Spectra by DFT Calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Spectroscopy on Rydberg States of Sodium Atoms on the Surface of Helium Nanodroplets (Articolo in rivista) (Prodotto della ricerca)
- Empty Level Structure and Dissociative Electron Attachment Cross Sections in Saturated and Unsaturated Bromohydrocarbons (Articolo in rivista) (Prodotto della ricerca)
- Nonradiative deexcitation dynamics of 9H-adenine: an OM2 surface hopping study (Articolo in rivista) (Prodotto della ricerca)
- Valence shell photoelectron spectroscopy of pyrene and fluorene: Photon energy dependence in the far-ultraviolet region (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Photoinduced Energy and Electron Transfer Processes in Porphyrin-Perylene Bisimide Symmetric Triads (Articolo in rivista) (Prodotto della ricerca)
- Unraveling excited states of doped helium clusters (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Theoretical Reaction Kinetics Astride the Transition between Moderate and Deep Tunneling Regimes: The F + HD Case (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Solubility of Metal Atoms in Helium Droplets: Exploring the Effect of the Well Depth Using the Coinage Metals Cu and Ag (Articolo in rivista) (Prodotto della ricerca)
- Hydrogen and coordination bonding supramolecular structures of trimesic acid on Cu(110) (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Revealing Electron Delocalization through the Source Function (Articolo in rivista) (Prodotto della ricerca)
- Spin Polarized Metastable Helium De-excitation Processes on Metal Surfaces (Articolo in rivista) (Prodotto della ricerca)
- Perturbation Method to Calculate the Interaction Potentials and Electronic Excitation Spectra of Atoms in He Nanodroplets (Articolo in rivista) (Prodotto della ricerca)
- Optoelectronic Properties of Natural Cyanin Dyes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Ab initio study of the intra- and inter-molecular bonding in AuCl(CO) (Articolo in rivista) (Prodotto della ricerca)
- Combined Crossed Molecular Beam and Theoretical Studies of the N(D-2) + CH4 Reaction and Implications for Atmospheric Models of Titan (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Effects of TIPS-Functionalization and Perhalogenation on the Electronic, Optical, and Transport Properties of Angular and Compact Dibenzochrysene (Articolo in rivista) (Prodotto della ricerca)
- Photophysical study of naphthalenophanes: evidence of adduct formation with molecular oxygen (Articolo in rivista) (Prodotto della ricerca)
- Fundamental Properties and Nature of CH..O Interactions in Crystals on the Basis of Experimental and Theoretical Charge Densities. The case of 3, 4-Bis(dimethylamino)-3-cyclobutene-1, 2-dione (DMACB) Crystal (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Polymorphism and phase control in titanyl phthalocyanine thin films grown by supersonic molecular beam deposition (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Adsorption Site and Surface Temperature Effects in CO Formation on Pt(111): A New Semiclassical Study (Articolo in rivista) (Prodotto della ricerca)
- Excitation, Ionization, and Fragmentation of Chiral Molecules in Asymmetric Microenvironments: a Mass-Resolved R2PI Spectroscopic Study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- On the Coupling of Vibrational Relaxation with the Dissociation-Recombination Kinetics: From Dynamics to Aerospace Applications. (Articolo in rivista) (Prodotto della ricerca)
- CuOx-TiO2 Photocatalysts for H2 Production from Ethanol and Glycerol Solutions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Double Photoionization of CO2 Molecules in the 34-50 eV Energy Range (Articolo in rivista) (Prodotto della ricerca)
- Near edge X-ray absorption spectra of some small polyatomic molecules (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Intermolecular Interaction in the H2S-H-2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations (Articolo in rivista) (Prodotto della ricerca)
- Raman and Inelastic Neutron Scattering Study on a Melt-Infiltrated Composite of NaAlH4 and Nanoporous Carbon (Articolo in rivista) (Prodotto della ricerca)
- Intermolecular Interaction in the NH3-H-2 and H2O-H-2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer (Articolo in rivista) (Prodotto della ricerca)
- Gas-phase experimental and theoretical near edge X-ray absorption fine structure study of 2-mercaptobenzothiazole (Articolo in rivista) (Prodotto della ricerca)
- Core level study of alanine and threonine (Articolo in rivista) (Prodotto della ricerca)
- Conformational analysis of (S)-(+)-1-bromo-2-methylbutane and the influence of bromine on conformational stability (Articolo in rivista) (Prodotto della ricerca)
- Differential solvation free energies of oxonium and ammonium ions: insights from quantum chemical calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- On the Role of Scattering Resonances in the F+HD Reactions Dynamics (Articolo in rivista) (Prodotto della ricerca)
- High-resution mapping of the elctrostatic potential in organic thin-film transistor by phase electrostatic force microscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Estimating Chloride Polarizability in a Water Solution (Articolo in rivista) (Prodotto della ricerca)
- Elucidating the 3d electronic configuration in manganese phthalocyanine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Anisotropy and size effects on the optical spectra of polycyclic aromatic hydrocarbons (Articolo in rivista) (Prodotto della ricerca)
- Unravelling the Role of the Central Metal Ion in the Electronic Structure of Tris(8-hydroxyquinoline) Metal Chelates: Photoemission Spectroscopy and Hybrid Functional Calculations (Articolo in rivista) (Prodotto della ricerca)
- The Electronic Structure of Alkali Aurides. A Four-Component Dirac-Kohn-Sham Study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Theoretical and Experimental Study of Valence-Shell Ionization Spectra of Guanine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Temperature Behavior of the AlH3 Polymorph by in Situ Investigation Using High Resolution Raman Scattering (Articolo in rivista) (Prodotto della ricerca)
- Absolute configuration and conformational stability of (S)-(+)-3-(2-methylbutyl)thiophene and (+)-3,4-Di[(S)-2-methylbutyl)]thiophene and their polymers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Microwave Spectrum of [1,1]-Pyridine-Ne2 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Stabilization of Different Conformers of Bis(trifluoromethanesulfonyl)imide Anion in Ammonium-Based Ionic Liquids at Low Temperatures (Articolo in rivista) (Prodotto della ricerca)
- Enantioselective HF loss promoted by resonant two photon ionization of supersonically expanded (R)-1-phenyl-2,2,2-trifluoroethanol clusters (Articolo in rivista) (Prodotto della ricerca)
- X-ray absorption spectroscopy of VOCl3, CrO2Cl2 and MnO3Cl: an experimental and theoretical study (Articolo in rivista) (Prodotto della ricerca)
- Gas-phase photoemission study of 2-mercaptobenzothiazole (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Gas-phase photoemission investigation of diethynylthiophene: Experiment and theory (Articolo in rivista) (Prodotto della ricerca)
- Nanoparticles and thin film formation in ultrashort pulsed laser deposition of vanadium oxide (Articolo in rivista) (Prodotto della ricerca)
- Gas-phase photoemission investigation of diethynyl-thiophene: experiment and theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Photoinduced Electron Transfer through Peptide-Based Self-Assembled Monolayers Chemisorbed on Gold Electrodes: Directing the Flow-in and Flow-out of Electrons through Peptide Helices (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- The OCS S L2MM Auger spectrum and angular distributions studied by photoelectron-Auger electron coincidence experiments (Articolo in rivista) (Prodotto della ricerca)
- Oxygen Adsorption on beta-Cristobalite Polymorph: Ab Initio Modelling and Semiclassical Time-Dependent Dynamics (Articolo in rivista) (Prodotto della ricerca)
- Collision Integrals for Interactions Involving Atoms in Electronically Excited States (Articolo in rivista) (Prodotto della ricerca)
- Alternative label
- Stereodynamics of chemical reactions (literal)
- Dynamics, kinetics, environmental chemistry, spectroscopy, structure, theory (literal)
- Physical chemistry. (literal)
- A (literal)
- Molecules, spectroscopy, kinetics, environment, and general theory (literal)
- J. phys. chem., A (literal)
- ?The ?journal of physical chemistry. (literal)
- Molecules, spectroscopy, kinetics, environment & general theory (literal)
- Language
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#issn
- Preferred label
- ?The ?journal of physical chemistry. A (literal)
- Publisher
- American Chemical Society, Washington, D.C. : USA (literal)
Incoming links:
- Rivista
- Computational spectroscopy of carbon monoxide isotopomers in helium Clusters (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Unraveling excited states of doped helium clusters (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Hydrogen and coordination bonding supramolecular structures of trimesic acid on Cu(110) (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Isoelectronic series of oxygen deficient centres in silica: experimental estimation of homogeneous and inhomogeneous spectral widths. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Gas-phase photoemission study of 2-mercaptobenzothiazole (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- On the Coupling of Vibrational Relaxation with the Dissociation-Recombination Kinetics: From Dynamics to Aerospace Applications. (Articolo in rivista) (Prodotto della ricerca)
- Theoretical and Experimental Study of Valence-Shell Ionization Spectra of Guanine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Quantum Zeno Effect in a Model Multilevel Molecule (Articolo in rivista) (Prodotto della ricerca)
- Selective Vibrational Pumping of Molecular Hydrogen via Gas Phase Atomic Recombination (Articolo in rivista) (Prodotto della ricerca)
- Evidence for long-range coulomb effects during formation of nanoparticle agglomerates from pyrolysis and combustion routes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Photophysical study of naphthalenophanes: evidence of adduct formation with molecular oxygen (Articolo in rivista) (Prodotto della ricerca)
- On the Role of Scattering Resonances in the F+HD Reactions Dynamics (Articolo in rivista) (Prodotto della ricerca)
- Quantum Stereodynamics for the Two Product Channels of the F + HD Reaction from the Complete Scattering Matrix in the Stereodirected Representation (Articolo in rivista) (Prodotto della ricerca)
- An experimental and theoretical core-level study of tautomerism in guanine (Articolo in rivista) (Prodotto della ricerca)
- Tautomerism in cytosine and uracil: An experimental and theoretical core level spectroscopic study (Articolo in rivista) (Prodotto della ricerca)
- Direct Images of the Virtual Source in a Supersonic Expansion (Articolo in rivista) (Prodotto della ricerca)
- Optoelectronic Properties of Natural Cyanin Dyes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Enolate structure and electron affinity (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Adsorption Site and Surface Temperature Effects in CO Formation on Pt(111): A New Semiclassical Study (Articolo in rivista) (Prodotto della ricerca)
- Enantioselective HF loss promoted by resonant two photon ionization of supersonically expanded (R)-1-phenyl-2,2,2-trifluoroethanol clusters (Articolo in rivista) (Prodotto della ricerca)
- Nanoparticles and thin film formation in ultrashort pulsed laser deposition of vanadium oxide (Articolo in rivista) (Prodotto della ricerca)
- The OCS S L2MM Auger spectrum and angular distributions studied by photoelectron-Auger electron coincidence experiments (Articolo in rivista) (Prodotto della ricerca)
- Oxygen Adsorption on beta-Cristobalite Polymorph: Ab Initio Modelling and Semiclassical Time-Dependent Dynamics (Articolo in rivista) (Prodotto della ricerca)
- Collision Integrals for Interactions Involving Atoms in Electronically Excited States (Articolo in rivista) (Prodotto della ricerca)
- Theoretical modeling of laser ablation of quaternary bronze alloys: case studies comparing femtosecond and nanosecond LIBS experimental data (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Trajectory-Surface-Hopping Study of the Renner-Teller Effect in the N(2D) +H2 Reaction (Articolo in rivista) (Prodotto della ricerca)
- Excited state behavior of trans and cis isomers of stilbene and stiff-stilbene. A TD-DFT study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Gas-phase experimental and theoretical near edge X-ray absorption fine structure study of 2-mercaptobenzothiazole (Articolo in rivista) (Prodotto della ricerca)
- Fundamental Properties and Nature of CH..O Interactions in Crystals on the Basis of Experimental and Theoretical Charge Densities. The case of 3, 4-Bis(dimethylamino)-3-cyclobutene-1, 2-dione (DMACB) Crystal (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- The Electronic Structure of Alkali Aurides. A Four-Component Dirac-Kohn-Sham Study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Spin-orbit relativistic time dependent density functional calculations of the metal and ligand pre-edge XAS intensities of organotitanium complexes: TiC4, Ti(h5-C5H5)Cl3, and Ti(h5-C5H5)2Cl2 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Direct Space Representation of the Metallic Bond (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- DFT-Based Regioselectivity Criteria for Cycloaddition Reactions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Density functional theory study of the binding capability of tris(pyrazol-1-yl)methane toward Cu(I) and Ag(I) cations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Solubility of Metal Atoms in Helium Droplets: Exploring the Effect of the Well Depth Using the Coinage Metals Cu and Ag (Articolo in rivista) (Prodotto della ricerca)
- Revealing Electron Delocalization through the Source Function (Articolo in rivista) (Prodotto della ricerca)
- Spin Polarized Metastable Helium De-excitation Processes on Metal Surfaces (Articolo in rivista) (Prodotto della ricerca)
- Temporary anion states and dissociative electron attachment in diphenyl disulfide (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Near edge X-ray absorption spectra of some small polyatomic molecules (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- High-resution mapping of the elctrostatic potential in organic thin-film transistor by phase electrostatic force microscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Microwave Spectrum of [1,1]-Pyridine-Ne2 (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Predicting 13C NMR Spectra by DFT Calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Double Photoionization of CO2 Molecules in the 34-50 eV Energy Range (Articolo in rivista) (Prodotto della ricerca)
- Theory for vibrationally resolved two-photon circular dichroism spectra. Application to (R)-(+)-3-methylcyclopentanone (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Density functional calculations on platinum nanoclusters: Pt_13, Pt_38 and Pt_55 (Articolo in rivista) (Prodotto della ricerca)
- Conformational effects on the optical rotation of alanine and proline (Articolo in rivista) (Prodotto della ricerca)
- Adsorption and Diffusion of Fe on a Titania Ultrathin Film (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- An MO-VB approach for the determination of intermolecular forces. Theory and calculations on the He2, He-CH4, and He-H2O systems (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Empty Level Structure and Dissociative Electron Attachment Cross Sections in Saturated and Unsaturated Bromohydrocarbons (Articolo in rivista) (Prodotto della ricerca)
- Photoinduced Energy and Electron Transfer Processes in Porphyrin-Perylene Bisimide Symmetric Triads (Articolo in rivista) (Prodotto della ricerca)
- Relative energy and structural differences of axial andequatorial 1-fluoro-1-silacyclohexane (Articolo in rivista) (Prodotto della ricerca)
- Methylsalicylate: a rotational spectroscopy study (Articolo in rivista) (Prodotto della ricerca)
- Hydrated Complexes of Atmospheric Interest: Rotational Spectrum of Diacetyl-Water (Articolo in rivista) (Prodotto della ricerca)
- Ion-Pairing of Octyl Viologen Diiodide in Low-Polar Solvents: An Experimental and Computational Study (Articolo in rivista) (Prodotto della ricerca)
- Tautomerism in Cytosine and Uracil: A Theoretical and Experimental X-ray Absorption and Resonant Auger Study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Structural relaxation around Cr3+ in YAlO3-YCrO3 perovskites from electron absorption spectra (Articolo in rivista) (Prodotto della ricerca)
- Three-Fragment Counterpoise Correction of Potential Energy Curves for Proton Transfer Reactions (Articolo in rivista) (Prodotto della ricerca)
- Experimental and theoretical study of the Br...N halogen bond in complexes of 1,4-dibromotetrafluorobenzene with dipyridyl derivatives (Articolo in rivista) (Prodotto della ricerca)
- Spatial Energetics of Protonated LiH: Lower-Lying Potential Energy Surfaces from Valence Bond Calculations (Articolo in rivista) (Prodotto della ricerca)
- Temporary anion states and dissociative electron attachment to isothiocyanates (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- 1,10-Phenanthrolines with Tunable Luminescence upon Protonation: A Spectroscopic and Computational Study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Polymorphism and phase control in titanyl phthalocyanine thin films grown by supersonic molecular beam deposition (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Interplay between Amplified Spontaneous Emission, Forster Resonant Energy Transfer, and Self-Absorption in Hybrid Poly(9,9-dioctylfluorene)-CdSe/ZnS Nanocrystal Thin Films (Articolo in rivista) (Prodotto della ricerca)
- Photoemission and photoabsorption spectroscopy of glycyl-glycine in the gas phase (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Monosolvation of R-1-Phenyl-2,2,2-trifluoroethanol with Amines: Configurational Effects on the Excitation, Ionization, and Fragmentation of Diastereomeric Complexes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Investigation of the amino acids glycine, proline and methionine by photoemission spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Core level study of alanine and threonine (Articolo in rivista) (Prodotto della ricerca)
- CuOx-TiO2 Photocatalysts for H2 Production from Ethanol and Glycerol Solutions (Articolo in rivista) (Prodotto della ricerca)
- Theoretical study of singlet and triplet excitation energies in oligothiophenes (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Nonradiative deexcitation dynamics of 9H-adenine: an OM2 surface hopping study (Articolo in rivista) (Prodotto della ricerca)
- Empty level structure in phenyl and benzyl isocyanates (Articolo in rivista) (Prodotto della ricerca)
- Empty Level Structure and Dissociative Electron Attachment Cross Sections in Bromo and Chloro Dihaloalkanes (Articolo in rivista) (Prodotto della ricerca)
- Raman Spectra of Ammonia Borane: The Low Frequency Lattice Modes (Articolo in rivista) (Prodotto della ricerca)
- Charge-Displacement Analysis of the Interaction in the Ammonia-Noble Gas Complexes (Articolo in rivista) (Prodotto della ricerca)
- Gas-phase photoemission investigation of diethynyl-thiophene: experiment and theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Oxygen Adsorption on beta-Quartz Model Surfaces: Some Insights from Density Functional Theory Calculations and Semiclassical Time-Dependent Dynamics (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- A DFT study of the low-lying singlet excited states of the all-trans peridinin in vacuo (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Excited-State Absorption and Ultrafast Relaxation Dynamics of Porphyrin, Diprotonated Porphyrin, and Tetraoxaporphyrin Dication (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Relaxation Properties of Porphyrin, Diprotonated Porphyrin, and Isoelectronic Tetraoxaporphyrin Dication in the S2 State (Articolo in rivista) (Prodotto della ricerca)
- Energetics and Bonding in Aluminosilicate Rings with Alkali Metal and Alkaline-Earth Metal Charge-Compensating Cations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- X-ray Spectroscopy of Heterocyclic Biochemicals: Xanthine, Hypoxanthine, and Caffeine (Articolo in rivista) (Prodotto della ricerca)
- Stoichiometry-Dependent Chemical Activity of Supported MgO(100) Films (Articolo in rivista) (Prodotto della ricerca)
- Investigation of Halogenated Pyrimidines by X-ray Photoemission Spectroscopy and Theoretical DFT Methods (Articolo in rivista) (Prodotto della ricerca)
- Excitation, Ionization, and Fragmentation of Chiral Molecules in Asymmetric Microenvironments: a Mass-Resolved R2PI Spectroscopic Study (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Differential solvation free energies of oxonium and ammonium ions: insights from quantum chemical calculations (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- X-ray absorption spectroscopy of VOCl3, CrO2Cl2 and MnO3Cl: an experimental and theoretical study (Articolo in rivista) (Prodotto della ricerca)
- Theoretical study of singlet and triplet excitation energies in oligothiophenes (Articolo in rivista) (Prodotto della ricerca)
- Comprehensive Core-Level Study of the Effects of Isomerism, Halogenation, and Methylation on the Tautomeric Equilibrium of Cytosine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Combined Crossed Molecular Beam and Theoretical Studies of the N(D-2) + CH4 Reaction and Implications for Atmospheric Models of Titan (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- CuOx-TiO2 Photocatalysts for H2 Production from Ethanol and Glycerol Solutions (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Absorption Spectra, Photophysical Properties, and Redox Behavior of Ruthenium(II) Polypyridine Complexes Containing Accessory Dipyrromethene-BF2 Chromophores (Articolo in rivista) (Prodotto della ricerca)
- Excited States of Porphyrin Macrocycles (Articolo in rivista) (Prodotto della ricerca)
- Raman and Inelastic Neutron Scattering Study on a Melt-Infiltrated Composite of NaAlH4 and Nanoporous Carbon (Articolo in rivista) (Prodotto della ricerca)
- Temperature Behavior of the AlH3 Polymorph by in Situ Investigation Using High Resolution Raman Scattering (Articolo in rivista) (Prodotto della ricerca)
- Theoretical investigation of thiophene oligomers: A spin-coupled study (Articolo in rivista) (Prodotto della ricerca)
- Absolute configuration and conformational stability of (S)-(+)-3-(2-methylbutyl)thiophene and (+)-3,4-Di[(S)-2-methylbutyl)]thiophene and their polymers (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Conformational analysis of (S)-(+)-1-bromo-2-methylbutane and the influence of bromine on conformational stability (Articolo in rivista) (Prodotto della ricerca)
- Ab initio study of the intra- and inter-molecular bonding in AuCl(CO) (Articolo in rivista) (Prodotto della ricerca)
- Electronic Circular Dichroism in Exciton-Coupled Dimers: Vibronic Spectra from a General All-Coordinates Quantum-Dynamical Approach (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- CH···O and CH···F Links Form the Cage Structure of Dioxane-Trifluoromethane (Articolo in rivista) (Prodotto della ricerca)
- Rotational Spectrum and Internal Dynamics of Methylpyruvate (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Charge Transfer and Penning Ionization of Dopants in or on Helium Nanodroplets Exposed to EUV Radiation (Articolo in rivista) (Prodotto della ricerca)
- Theoretical Reaction Kinetics Astride the Transition between Moderate and Deep Tunneling Regimes: The F + HD Case (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Elucidating the 3d electronic configuration in manganese phthalocyanine (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Anisotropy and size effects on the optical spectra of polycyclic aromatic hydrocarbons (Articolo in rivista) (Prodotto della ricerca)
- Stabilization of Different Conformers of Bis(trifluoromethanesulfonyl)imide Anion in Ammonium-Based Ionic Liquids at Low Temperatures (Articolo in rivista) (Prodotto della ricerca)
- Photoinduced Electron Transfer through Peptide-Based Self-Assembled Monolayers Chemisorbed on Gold Electrodes: Directing the Flow-in and Flow-out of Electrons through Peptide Helices (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Pyridine-CF4: A Molecule with a Rotating Cap (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Characterization of combustion-generated carbonaceous nanoparticles by size-dependent ultraviolet laser photoionization (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Intermolecular Interaction in the NH3-H-2 and H2O-H-2 Complexes by Molecular Beam Scattering Experiments: The Role of Charge Transfer (Articolo in rivista) (Prodotto della ricerca)
- Global Minimum Pt13M20 (M = Ag, Au, Cu, Pd) Dodecahedral Core-Shell Clusters (Articolo in rivista) (Prodotto della ricerca)
- Structures of Cycloserine and 2-Oxazolidinone Probed by X-ray Photoelectron Spectroscopy: Theory and Experiment (Articolo in rivista) (Prodotto della ricerca)
- NIR Dual Luminescence from an Extended Porphyrin. Spectroscopy, Photophysics and Theory (Articolo in rivista) (Prodotto della ricerca)
- DFT/TDDFT Study of the Adsorption of N3 and N719 Dyes on ZnO(101?0) Surfaces (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Valence shell photoelectron spectroscopy of pyrene and fluorene: Photon energy dependence in the far-ultraviolet region (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Intermolecular Interaction in the H2S-H-2 Complex: Molecular Beam Scattering Experiments and Ab-Inito Calculations (Articolo in rivista) (Prodotto della ricerca)
- Two-Photon Circular Dichroism of an Axially Dissymmetric Diphosphine Ligand with Strong Intramolecular Charge Transfer (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Two Dimensional Imaging of the Virtual Source of a Supersonic Beam: Helium at 125 K (Articolo in rivista) (Prodotto della ricerca)
- Unravelling the Role of the Central Metal Ion in the Electronic Structure of Tris(8-hydroxyquinoline) Metal Chelates: Photoemission Spectroscopy and Hybrid Functional Calculations (Articolo in rivista) (Prodotto della ricerca)
- Perturbation Method to Calculate the Interaction Potentials and Electronic Excitation Spectra of Atoms in He Nanodroplets (Articolo in rivista) (Prodotto della ricerca)
- Spectroscopy on Rydberg States of Sodium Atoms on the Surface of Helium Nanodroplets (Articolo in rivista) (Prodotto della ricerca)
- Exciplexes with Ionic Dopants: Stability, Structure, and Experimental Relevance of M+(2P)4Hen (M = Sr, Ba) (Articolo in rivista) (Prodotto della ricerca)
- Adiabatic Potential Energy Surfaces for the Low-Energy Collisional Dynamics of C+(P-2) Ions with H-2 Molecules (Articolo in rivista) (Prodotto della ricerca)
- Effects of TIPS-Functionalization and Perhalogenation on the Electronic, Optical, and Transport Properties of Angular and Compact Dibenzochrysene (Articolo in rivista) (Prodotto della ricerca)
- Molecular Structure and Spectroscopic Signatures of Acrolein: Theory Meets Experiment (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Photoelectron Spectra of Some Antibiotic Building Blocks: 2-Azetidinone and Thiazolidine-Carboxylic Acid (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
- Toward a Density Functional Description of Liquid pH(2) (Articolo in rivista) (Prodotto della ricerca)
- Estimating Chloride Polarizability in a Water Solution (Articolo in rivista) (Prodotto della ricerca)
- Gas-phase photoemission investigation of diethynylthiophene: Experiment and theory (Articolo in rivista) (Prodotto della ricerca)
- Infrared Investigations of 4-Hydroxycyanobenzene Single Crystals (Articolo in rivista) (Prodotto della ricerca)
- Complete C-13 NMR Chemical Shifts Assignment for Cholesterol Crystals by Combined CPMAS Spectral Editing and ab Initio GIPAW Calculations with Dispersion Forces (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)