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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 1, 2007
C-H stretching vibrational shift of benzene dimer: consistency of experiment and calculationWeizhou Wang, Michal Pitonák, Pavel HobzaPhysical Chemistry Chemical Physics : PCCP|July 13, 2010
Spin-component scaled coupled-clusters singles and doubles optimized towards calculation of noncovalent interactionsMichal Pitonák, Jan Rezác, Pavel HobzaChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 25, 2008
Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimerMichal Pitonák, Kevin E Riley, Pavel Neogrády, et al.Physical Chemistry Chemical Physics : PCCP|May 10, 2008
Benchmark database on isolated small peptides containing an aromatic side chain: comparison between wave function and density functional theory methods and empirical force fieldHaydee Valdes, Kristýna Pluhácková, Michal Pitonák, et al.The Journal of Physical Chemistry. A|July 3, 2008
Toward more efficient CCSD(T) calculations of intermolecular interactions in model hydrogen-bonded and stacked dimersPavlína Dedíková, Michal Pitonák, Pavel Neogrády, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|December 31, 2008
Scaled MP3 non-covalent interaction energies agree closely with accurate CCSD(T) benchmark dataMichal Pitonák, Pavel Neogrády, Jirí Cerný, et al.Journal of Computational Chemistry|October 30, 2007
Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe-Gly-Phe tripeptideHaydée Valdés, Vojtech Klusák, Michal Pitonák, et al.Journal of Computational Chemistry|June 6, 2009
MOLCAS 7: the next generationFrancesco Aquilante, Luca De Vico, Nicolas Ferré, et al.Pageof 1