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Kevin E Riley

Showing results (11-20 of 42) with videos related to

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The Journal of Physical Chemistry. B|July 21, 2006
Effects of fluorine substitution on the edge-to-face interaction of the benzene dimerKevin E Riley, Kenneth M Merz
Physical Chemistry Chemical Physics : PCCP|May 10, 2008
Nature and magnitude of aromatic stacking of nucleic acid basesJirí Sponer, Kevin E Riley, Pavel Hobza
Journal of Chemical Theory and Computation|November 26, 2015
Benchmark Calculations of Noncovalent Interactions of Halogenated MoleculesJan Řezáč, Kevin E Riley, Pavel Hobza
Journal of Molecular Modeling|January 9, 2013
Competition between halogen, dihalogen and hydrogen bonds in bromo- and iodomethanol dimersKevin E Riley, Jan Rezáč, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP|October 26, 2011
MP2.X: a generalized MP2.5 method that produces improved binding energies with smaller basis setsKevin E Riley, Jan Řezáč, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP|September 4, 2012
The performance of MP2.5 and MP2.X methods for nonequilibrium geometries of molecular complexesKevin E Riley, Jan Řezáč, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP|October 25, 2007
Performance of the DFT-D method, paired with the PCM implicit solvation model, for the computation of interaction energies of solvated complexes of biological interestKevin E Riley, Jiri Vondrásek, Pavel Hobza
Journal of Chemical Theory and Computation|August 13, 2011
S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular StructuresJan Rezáč, Kevin E Riley, Pavel Hobza
Journal of Computational Chemistry|December 17, 2011
Evaluation of the performance of post-Hartree-Fock methods in terms of intermolecular distance in noncovalent complexesJan Rezáč, Kevin E Riley, Pavel Hobza
The Journal of Physical Chemistry. B|May 4, 2007
An ab initio investigation of the interactions involving the aromatic group of the set of fluorinated N-(4-sulfamylbenzoyl)benzylamine inhibitors and human carbonic anhydrase IIKevin E Riley, Guanglei Cui, Kenneth M Merz
Pageof 5

Showing results (11-20 of 42) with videos related to

Sort By:
Pageof 5
The Journal of Physical Chemistry. B|July 21, 2006
Effects of fluorine substitution on the edge-to-face interaction of the benzene dimerKevin E Riley, Kenneth M Merz
Physical Chemistry Chemical Physics : PCCP|May 10, 2008
Nature and magnitude of aromatic stacking of nucleic acid basesJirí Sponer, Kevin E Riley, Pavel Hobza
Journal of Chemical Theory and Computation|November 26, 2015
Benchmark Calculations of Noncovalent Interactions of Halogenated MoleculesJan Řezáč, Kevin E Riley, Pavel Hobza
Journal of Molecular Modeling|January 9, 2013
Competition between halogen, dihalogen and hydrogen bonds in bromo- and iodomethanol dimersKevin E Riley, Jan Rezáč, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP|October 26, 2011
MP2.X: a generalized MP2.5 method that produces improved binding energies with smaller basis setsKevin E Riley, Jan Řezáč, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP|September 4, 2012
The performance of MP2.5 and MP2.X methods for nonequilibrium geometries of molecular complexesKevin E Riley, Jan Řezáč, Pavel Hobza
Physical Chemistry Chemical Physics : PCCP|October 25, 2007
Performance of the DFT-D method, paired with the PCM implicit solvation model, for the computation of interaction energies of solvated complexes of biological interestKevin E Riley, Jiri Vondrásek, Pavel Hobza
Journal of Chemical Theory and Computation|August 13, 2011
S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular StructuresJan Rezáč, Kevin E Riley, Pavel Hobza
Journal of Computational Chemistry|December 17, 2011
Evaluation of the performance of post-Hartree-Fock methods in terms of intermolecular distance in noncovalent complexesJan Rezáč, Kevin E Riley, Pavel Hobza
The Journal of Physical Chemistry. B|May 4, 2007
An ab initio investigation of the interactions involving the aromatic group of the set of fluorinated N-(4-sulfamylbenzoyl)benzylamine inhibitors and human carbonic anhydrase IIKevin E Riley, Guanglei Cui, Kenneth M Merz
Pageof 5