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Pubblicazioni
CHEMICAL PHYSICS LETTERS
Rivista
Codice:
E035163
ISSN:
0009-2614
Dati Generali
Dati Generali
Pubblicazioni (71)
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Ordina Pubblicazioni:
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"Observation of interface excitons and energy transfer processes in an oligo-thiophene multilayer structure"
Articolo
A Proof of Pitzer's Theorem for Abelian Groups and its Application to Two-Electron Integral Transformation
Articolo
A generalization of the kubo—freed relaxation theory
Articolo
A molecular dynamics study of the TIP4P model of water
Articolo
A “microscopic” model for the dynamics of water
Articolo
AN MCSCF AB INITIO STUDY OF C-CL BOND CLEAVAGE IN H3C-Cl
Articolo
Ab initio Coupled Hartree-Fock calculation of the 29Si NMR shielding constants in SiH_4, Si_2H_6, Si_2H_4 and H_2SiO
Articolo
Ab initio calculation of the 31P NMR shielding tensor for the series PO_a F_b^{-(2a+b-5)}, a+b=4 and for HPO_4^{2-}
Articolo
Activation energies by molecular dynamics with constraints
Articolo
Analytic geometrical derivatives of second-order molecular properties from perturbation theory
Articolo
Angle-Resolved Thermal Desorption and Time-of-flight spectra:Ne-Cu(111)
Articolo
Calculation of paramagnetic susceptibilities using electronic atomic axial tensors (or nuclear shielding tensors) and the distributed origin gauge: ethylene oxide
Articolo
Calculation of vertical ionization potentials of CF_4 and SiF_4 by the Green-Function method
Articolo
Calculations of Nuclear Electric Shielding in Molecules
Articolo
Calculations of electric dipole hyperpolarizability of polyatomic molecules
Articolo
Charge transfer effects and photoemission in transition metal oxides
Articolo
Chemical shifts of the core-level binding energies for the alkaline-earth oxides
Articolo
Computational approach to molecular magnetic properties by continuous transformation of origin of current density
Articolo
Computational interpretation of 23Na MQMAS NMR Spectra: a comprehensive investigation of the Na environment in silicate glasses
Articolo
Connection between the nuclear electric shielding tensor and the infrared intensity
Articolo
Coupled Hartree-Fock calculations of atomic polar tensors and the dipole polarisability of the benzene molecule
Articolo
Dynamical behavior of the azide ion in protic solvents
Articolo
Dynamics of adsorprion/desorption of Ne-Cu(111): stiking
Articolo
Effect of a dielectric coating on quenching in a molecule-nanosphere system
Articolo
Effects of strong magnetic fields on the electron distribution and magnetisability of rare gas atoms
Articolo
Electric and magnetic properties of the aromatic sixty-carbon cage
Articolo
Electromagnetic moments and fields induced by nuclear vibrational motion in molecules
Articolo
Electron tunnelling through azurin is mediated by the active site Cu ion
Articolo
First-principles simulation of phosphorus-selenium systems
Articolo
High-field EPR of irradiated inclusion compounds
Articolo
Inconsistency of the Ring Current Model for the Cyclopropenyl Cation
Articolo
Interpretation of vicinal spin-spin coupling constants in ethane via the current density induced by nuclear magnetic dipoles
Articolo
Magnetic Anisotropy of Mn12-acetate Nanomagnets from High-field Torque Magnetometry
Articolo
Magnetic properties of C-60 calculated by continuous transformation of the origin of the current density
Articolo
Magnetic properties of C_{60} and C_{70}
Articolo
Magnetic response of dithiin molecules: is there anti-aromaticity in nature?
Articolo
Modelling of the cis-trans partitioning in the photoisomerizations of cyanines and stilbene derivatives
Articolo
Momentum theorems for electrons in the presence of monochromatic radiation and intramolecular perturbations
Articolo
Morphology and optical properties of MgO thin films on Mo(0 0 1)
Articolo
Non-gaussian distributions in computer triatomics
Articolo
On the Calculation of Parity-Violating Energies in Hydrogen Peroxide and Hydrogen Disulphide Molecules within the Random-Phase Approximation
Articolo
On the Stabilization of Natural L-Enantiomers of Alpha-Amino Acids via Parity-Violating Effects
Articolo
On the ``sagging pattern'' of 29Si NMR shieldings in the series SiH_a F_b, a+b=4.
Articolo
On the ability of Periodic Dispersion-Corrected DFT Calculations to Predict Molecular Crystal Polymorphism in para-diiodobenzene
Articolo
On the electronic structure analysis for one redox-active molecule
Articolo
Paramagnetic contributions to the NMR shielding constants of 1H and 17O in water by triple perturbation theory
Articolo
Parity violation energy of 5-pyrimidyl alkanol, a chiral autocatalytic molecule
Articolo
Parity violation energy of biomolecules - II: DNA
Articolo
Parity violation energy of biomolecules - III: RNA
Articolo
Radiofrequency plasma assisted exfoliation and reduction of large-area graphene oxide platelets produced by a mechanical transfer process
Articolo
Random-phase approximation calculation of K--edge rotational strengths of chiral molecules: propylene oxide
Articolo
Relating structure with morphology: A comparative study of perfect Langmuir–Blodgett multilayers
Articolo
Resolution of molecular magnetic susceptibility into atomic terms
Articolo
Resolution of molecular polarizability into atomic terms
Articolo
Rototranslational sum rules for geometrical derivatives of expectation values
Articolo
Self-trapping vs. non-trapping of electrons and holes in organic insulators: Polyethylene
Articolo
Structure and properties of C_{70}
Articolo
Substrate roughness influence on the order of nanografted Self-Assembled Monolayers
Articolo
Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation
Articolo
THEORY OF ACTIVATED REACTION PROCESSES: NONLINEAR COUPLING BETWEEN REACTIVE AND NON REACTIVE MODES
Articolo
The Fast CI Method for Second-Order Properties
Articolo
The Structure of ?3x?3 R30° Iodine on Pd(111) Surface Studied by Normal Incidence X-Ray Standing Wavefield Absorption
Articolo
The gradient of a molecular wavefunction and its relation to the nuclear electric shielding
Articolo
The nuclear electromagnetic shielding approach to IR and VCD intensities: a theoretical study of ethylene oxide and cyclopropane
Articolo
The ring-current model of the paratropic pentalene molecule
Articolo
The validity of the Musher's model for the magnetic properties of aromatic molecules.
Articolo
The vibrational spectrum of camphor from ab initio and density functional theory and parity violation in the C-C*-CO bending mode
Articolo
Theory of the proton-proton spin-spin coupling surface of the methane molecule
Articolo
Thermal collapse of snowflake fractals
Articolo
Vibrational features of phosphor-silicate glasses: Periodic B3LYP Simulations.
Articolo
Vicinal proton-proton coupling constants. Basis set dependence in SCF ab initio calculations
Articolo
No Results Found
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