Journal of chemical physics online

Label

• Journal of chemical physics online (literal)

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

• On the controversial nature of the 11Bu and 21Bu states of trans-stilbene: the n-electron valence state perturbation theory approach (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Signatures of quantum behavior in the microscopic dynamics of liquid hydrogen and deuterium (Articolo in rivista) (Prodotto della ricerca)
• Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study (Articolo in rivista) (Prodotto della ricerca)
• Proton vibrational dynamics in lithium imide investigated through incoherent inelastic and Compton neutron scattering (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The HD molecule in small and medium cages of clathrate hydrates: Quantum dynamics studied by neutron scattering measurements and computation. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Dissociative double photoionization of singly deuterated benzene molecules in the 26-33 eV energy range (Articolo in rivista) (Prodotto della ricerca)
• Friction laws for lubricated nanocontacts (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Weak binding between two aromatic rings: Feeling the van der Waals attraction by quantum Monte Carlo methods (Articolo in rivista) (Prodotto della ricerca)
• Theory of thermostatted inhomogeneous granular fluids: A self-consistent density functional description (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The electronic characterization of biphenylene--Experimental and theoretical insights from core and valence level spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Molecular dynamics simulations for CO2 spectra. IV. Collisional line-mixing in infrared and Raman bands (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Designing Generalized Statistical Ensembles for Numerical Simulations of Biopolymers (Articolo in rivista) (Prodotto della ricerca)
• The double photoionization of hydrogen iodide molecules (Articolo in rivista) (Prodotto della ricerca)
• Density of phonon states in solid parahydrogen from inelastic neutron scattering (Articolo in rivista) (Prodotto della ricerca)
• A spherical model with directional interactions. I. Static properties (Articolo in rivista) (Prodotto della ricerca)
• Correlation effects in the optical spectra of porphyrin oligomer chains: Exciton confinement and length dependence (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Rotational spectrum of cyanoacetylene solvated with helium atoms (Articolo in rivista) (Prodotto della ricerca)
• X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s* resonance: Experiment and theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Exchange-correlation generalized gradient approximation for gold nanostructures (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Angular and energy distribution of fragment ions in dissociative double photoionization of acetylene molecules at 39 eV (Articolo in rivista) (Prodotto della ricerca)
• Stability and interface quality of GeO2 films grown on Ge by atomic oxygen assisted deposition (Articolo in rivista) (Prodotto della ricerca)
• Complete wetting of curved microscopic channels (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A novel implicit Newton-Raphson geometry optimization method for density functional theory calculations (Articolo in rivista) (Prodotto della ricerca)
• Screening ionic motion in sodalite cages: A dynamical study (Articolo in rivista) (Prodotto della ricerca)
• Exciton quenching in emitter blends for organic light emitting devices probed by electric field-dependent time-resolved luminescence (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Lattice Boltzmann implementation of the three-dimensional Ben-Naim potential for water-like fluids (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electronic Structure and Reactivity of the FS(H)+ Defect Center at the MgO(001) Surface (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Modelling the metal-on-top effect for Pd clusters on the MgO100 substrate (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Transport of a heated granular gas in a washboard potential (Articolo in rivista) (Prodotto della ricerca)
• Low-temperature excess specific heat and fragility in polymers: Crystallinity dependence (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Signatures of the Fast Dynamics in Glassy Polystyrene: First Evidence by High-Field Electron Paramagnetic Resonance of Molecular Guests. (Articolo in rivista) (Prodotto della ricerca)
• Kinetic theory of correlated fluids: From dynamic density functional to Lattice Boltzmann methods (Articolo in rivista) (Prodotto della ricerca)
• Spin-dependent gradient correction for more accurate atomization energies of molecules (Articolo in rivista) (Prodotto della ricerca)
• Weak intrinsic charge transfer complexes: A new route for developing wide spectrum organic photovoltaic cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Bias-driven local density of states alterations and transport in ballistic molecular devices (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the accuracy of frozen density embedding calculations with hybrid and orbital-dependent functionals for non-bonded interaction energies (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A periodic charge-dipole electrostatic model: Parametrization for silver slabs (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Nanoscale uniform self-assembled monolayers of fluorescent zinc(II) complexes on the Si(100) surface (Articolo in rivista) (Prodotto della ricerca)
• C-C bond unsaturation degree in monosubstituted ferrocenes for molecular electronics investigated by a combined near-edge x-ray absorption fine structure, x-ray photoemission spectroscopy, and density functional theory approach (Articolo in rivista) (Prodotto della ricerca)

Alternative label

• J. chem. phys. online (literal)
• Journal of chemical physics (literal)

Language

• eng (literal)

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

• 1089-7690 (literal)

Preferred label

• Journal of chemical physics online (literal)

Publisher

• American Institute of Physics, [Woodbury, N.Y.] : USA (literal)

Incoming links:

Rivista

• Rotational spectrum of cyanoacetylene solvated with helium atoms (Articolo in rivista) (Prodotto della ricerca)
• Friction laws for lubricated nanocontacts (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Theory of thermostatted inhomogeneous granular fluids: A self-consistent density functional description (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Stability and interface quality of GeO2 films grown on Ge by atomic oxygen assisted deposition (Articolo in rivista) (Prodotto della ricerca)
• Transport of a heated granular gas in a washboard potential (Articolo in rivista) (Prodotto della ricerca)
• A spherical model with directional interactions. I. Static properties (Articolo in rivista) (Prodotto della ricerca)
• Weak binding between two aromatic rings: Feeling the van der Waals attraction by quantum Monte Carlo methods (Articolo in rivista) (Prodotto della ricerca)
• Bias-driven local density of states alterations and transport in ballistic molecular devices (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Electronic Structure and Reactivity of the FS(H)+ Defect Center at the MgO(001) Surface (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Exciton quenching in emitter blends for organic light emitting devices probed by electric field-dependent time-resolved luminescence (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Weak intrinsic charge transfer complexes: A new route for developing wide spectrum organic photovoltaic cells (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The double photoionization of hydrogen iodide molecules (Articolo in rivista) (Prodotto della ricerca)
• Density of phonon states in solid parahydrogen from inelastic neutron scattering (Articolo in rivista) (Prodotto della ricerca)
• Signatures of the Fast Dynamics in Glassy Polystyrene: First Evidence by High-Field Electron Paramagnetic Resonance of Molecular Guests. (Articolo in rivista) (Prodotto della ricerca)
• Designing Generalized Statistical Ensembles for Numerical Simulations of Biopolymers (Articolo in rivista) (Prodotto della ricerca)
• Signatures of quantum behavior in the microscopic dynamics of liquid hydrogen and deuterium (Articolo in rivista) (Prodotto della ricerca)
• X-ray absorption and resonant Auger spectroscopy of O2 in the vicinity of the O 1s* resonance: Experiment and theory (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• On the controversial nature of the 11Bu and 21Bu states of trans-stilbene: the n-electron valence state perturbation theory approach (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Kinetic theory of correlated fluids: From dynamic density functional to Lattice Boltzmann methods (Articolo in rivista) (Prodotto della ricerca)
• Nanoscale uniform self-assembled monolayers of fluorescent zinc(II) complexes on the Si(100) surface (Articolo in rivista) (Prodotto della ricerca)
• Exchange-correlation generalized gradient approximation for gold nanostructures (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Proton vibrational dynamics in lithium imide investigated through incoherent inelastic and Compton neutron scattering (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Angular and energy distribution of fragment ions in dissociative double photoionization of acetylene molecules at 39 eV (Articolo in rivista) (Prodotto della ricerca)
• Structure, electronic, and optical properties of TiO2 atomic clusters: An ab initio study (Articolo in rivista) (Prodotto della ricerca)
• Correlation effects in the optical spectra of porphyrin oligomer chains: Exciton confinement and length dependence (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Complete wetting of curved microscopic channels (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Dissociative double photoionization of singly deuterated benzene molecules in the 26-33 eV energy range (Articolo in rivista) (Prodotto della ricerca)
• On the accuracy of frozen density embedding calculations with hybrid and orbital-dependent functionals for non-bonded interaction energies (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A periodic charge-dipole electrostatic model: Parametrization for silver slabs (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Spin-dependent gradient correction for more accurate atomization energies of molecules (Articolo in rivista) (Prodotto della ricerca)
• C-C bond unsaturation degree in monosubstituted ferrocenes for molecular electronics investigated by a combined near-edge x-ray absorption fine structure, x-ray photoemission spectroscopy, and density functional theory approach (Articolo in rivista) (Prodotto della ricerca)
• Low-temperature excess specific heat and fragility in polymers: Crystallinity dependence (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Lattice Boltzmann implementation of the three-dimensional Ben-Naim potential for water-like fluids (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• A novel implicit Newton-Raphson geometry optimization method for density functional theory calculations (Articolo in rivista) (Prodotto della ricerca)
• Screening ionic motion in sodalite cages: A dynamical study (Articolo in rivista) (Prodotto della ricerca)
• Modelling the metal-on-top effect for Pd clusters on the MgO100 substrate (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• Molecular dynamics simulations for CO2 spectra. IV. Collisional line-mixing in infrared and Raman bands (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The HD molecule in small and medium cages of clathrate hydrates: Quantum dynamics studied by neutron scattering measurements and computation. (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)
• The electronic characterization of biphenylene--Experimental and theoretical insights from core and valence level spectroscopy (Articolo in rivista) (http://www.cnr.it/ontology/cnr/individuo/prodotto/TIPO1101)