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Journal of Chemical Theory and Computation
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November 29, 2015
On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X-H···π): WFT and DFT Calculations
Kevin E Riley, Michal Pitoňák, Jiří Černý, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Complete Basis Set Extrapolation and Hybrid Schemes for Geometry Gradients of Noncovalent Complexes
Jiří Černý, Michal Pitoňák, Kevin E Riley, et al.
Chemphyschem : 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 dimer
Michal Pitonák, Kevin E Riley, Pavel Neogrády, et al.
Journal of Chemical Theory and Computation
|
November 13, 2008
Critical Assessment of the Performance of Density Functional Methods for Several Atomic and Molecular Properties
Kevin E Riley, Bryan T Op't Holt, Kenneth M Merz
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 15, 2013
MP2.5 and MP2.X: approaching CCSD(T) quality description of noncovalent interaction at the cost of a single CCSD iteration
Robert Sedlak, Kevin E Riley, Jan Řezáč, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 31, 2008
Another role of proline: stabilization interactions in proteins and protein complexes concerning proline and tryptophane
Lada Biedermannova, Kevin E Riley, Karel Berka, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Representative Amino Acid Side Chain Interactions in Proteins. A Comparison of Highly Accurate Correlated ab Initio Quantum Chemical and Empirical Potential Procedures
Karel Berka, Roman Laskowski, Kevin E Riley, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
Accurate Atomic and Molecular Calculations without Gradient Corrections: Scaled SVWNV Density Functional
Kevin E Riley, Edward N Brothers, Kenneth B Ayers, et al.
Journal of Molecular Modeling
|
May 5, 2011
Σ-holes, π-holes and electrostatically-driven interactions
Jane S Murray, Pat Lane, Timothy Clark, et al.
Journal of Molecular Modeling
|
October 22, 2011
Polarization-induced σ-holes and hydrogen bonding
Matthias Hennemann, Jane S Murray, Peter Politzer, et al.
Page
of 5
Search research articles
Search
Showing results (21-30 of 42) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
November 29, 2015
On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X-H···π): WFT and DFT Calculations
Kevin E Riley, Michal Pitoňák, Jiří Černý, et al.
Journal of Chemical Theory and Computation
|
November 25, 2015
Complete Basis Set Extrapolation and Hybrid Schemes for Geometry Gradients of Noncovalent Complexes
Jiří Černý, Michal Pitoňák, Kevin E Riley, et al.
Chemphyschem : 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 dimer
Michal Pitonák, Kevin E Riley, Pavel Neogrády, et al.
Journal of Chemical Theory and Computation
|
November 13, 2008
Critical Assessment of the Performance of Density Functional Methods for Several Atomic and Molecular Properties
Kevin E Riley, Bryan T Op't Holt, Kenneth M Merz
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
January 15, 2013
MP2.5 and MP2.X: approaching CCSD(T) quality description of noncovalent interaction at the cost of a single CCSD iteration
Robert Sedlak, Kevin E Riley, Jan Řezáč, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 31, 2008
Another role of proline: stabilization interactions in proteins and protein complexes concerning proline and tryptophane
Lada Biedermannova, Kevin E Riley, Karel Berka, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Representative Amino Acid Side Chain Interactions in Proteins. A Comparison of Highly Accurate Correlated ab Initio Quantum Chemical and Empirical Potential Procedures
Karel Berka, Roman Laskowski, Kevin E Riley, et al.
Journal of Chemical Theory and Computation
|
December 8, 2015
Accurate Atomic and Molecular Calculations without Gradient Corrections: Scaled SVWNV Density Functional
Kevin E Riley, Edward N Brothers, Kenneth B Ayers, et al.
Journal of Molecular Modeling
|
May 5, 2011
Σ-holes, π-holes and electrostatically-driven interactions
Jane S Murray, Pat Lane, Timothy Clark, et al.
Journal of Molecular Modeling
|
October 22, 2011
Polarization-induced σ-holes and hydrogen bonding
Matthias Hennemann, Jane S Murray, Peter Politzer, et al.
Page
of 5