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Journal of Chemical Theory and Computation|July 21, 2023
DFT Meets Wave-Function Composite Methods for Characterizing Cytosine Tautomers in the Gas PhaseVincenzo BaroneWiley Interdisciplinary Reviews. Computational Molecular Science|October 28, 2017
The Virtual Multifrequency Spectrometer: a new paradigm for spectroscopyVincenzo BaronePhysical Chemistry Chemical Physics : PCCP|December 15, 2023
Quantum chemistry meets high-resolution spectroscopy for characterizing the molecular bricks of life in the gas-phaseVincenzo BaroneThe Journal of Chemical Physics|January 11, 2005
Anharmonic vibrational properties by a fully automated second-order perturbative approachVincenzo BaroneJournal of Chemical Theory and Computation|November 27, 2015
Validation of the B3LYP/N07D and PBE0/N07D Computational Models for the Calculation of Electronic g-TensorsVincenzo Barone, Paola CiminoThe Journal of Physical Chemistry. B|September 28, 2011
Free energy landscapes of ion coordination in aqueous solutionGiuseppe Brancato, Vincenzo BaroneJournal of Computational Chemistry|June 9, 2004
Assessing the reliability of density functional methods in the conformational study of polypeptides: the treatment of intraresidue nonbonding interactionsRoberto Improta, Vincenzo BaroneJournal of Chemical Theory and Computation|November 25, 2015
Polarizable Force Fields and Polarizable Continuum Model: A Fluctuating Charges/PCM Approach. 1. Theory and ImplementationFilippo Lipparini, Vincenzo BaroneThe Journal of Chemical Physics|December 3, 2008
Toward spectroscopic accuracy for organic free radicals: Molecular structure, vibrational spectrum, and magnetic properties of F(2)NOCristina Puzzarini, Vincenzo BaroneThe Journal of Chemical Physics|November 16, 2010
Toward spectroscopic accuracy for open-shell systems: molecular structure and hyperfine coupling constants of H2CN, H2CP, NH2, and PH2 as test casesCristina Puzzarini, Vincenzo BaronePageof 50