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Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 28, 2016
Exploring the (Very Flat) Potential Energy Landscape of R-Br⋅⋅⋅π Interactions with Accurate CCSD(T) and SAPT Techniques
Kevin E Riley, Mariela Vazquez, Cole Umemura, et al.
The Journal of Physical Chemistry. A
|
April 6, 2012
Assessment of the performance of MP2 and MP2 variants for the treatment of noncovalent interactions
Kevin E Riley, James A Platts, Jan Řezáč, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Basis Set Dependence of Interaction Energies Computed Using Composite Post-MP2 Methods
James A Platts, J Grant Hill, Kevin E Riley, et al.
Molecules (Basel, Switzerland)
|
January 10, 2017
Ligands of Therapeutic Utility for the Liver X Receptors
Rajesh Komati, Dominick Spadoni, Shilong Zheng, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone
Kevin E Riley, Jane S Murray, Peter Politzer, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Reference Quantum Chemical Calculations on RNA Base Pairs Directly Involving the 2'-OH Group of Ribose
Jiří Šponer, Marie Zgarbová, Petr Jurečka, et al.
Acta Crystallographica. Section E, Crystallographic Communications
|
September 19, 2018
Crystal structures of the hexa-fluorido-phosphate salts of the isomeric 2-, 3- and 4-cyano-1-methyl-pyridinium cations and determination of solid-state inter-action energies
Joel T Mague, Erin Larrabee, David Olivier, et al.
ACS Omega
|
December 5, 2022
Highly Selective Electrochemical Synthesis of Urea Derivatives Initiated from Oxygen Reduction in Ionic Liquids
Erin Witherspoon, Pinghua Ling, William Winchester, et al.
Journal of the American Chemical Society
|
May 5, 2005
Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein-ligand interaction
Kaushik Raha, Arjan J van der Vaart, Kevin E Riley, et al.
Journal of Molecular Modeling
|
May 31, 2012
Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds
Kevin E Riley, Jane S Murray, Jindřich Fanfrlík, et al.
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Search research articles
Search
Showing results (31-40 of 42) with videos related to
Sort By:
Page
of 5
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 28, 2016
Exploring the (Very Flat) Potential Energy Landscape of R-Br⋅⋅⋅π Interactions with Accurate CCSD(T) and SAPT Techniques
Kevin E Riley, Mariela Vazquez, Cole Umemura, et al.
The Journal of Physical Chemistry. A
|
April 6, 2012
Assessment of the performance of MP2 and MP2 variants for the treatment of noncovalent interactions
Kevin E Riley, James A Platts, Jan Řezáč, et al.
Journal of Chemical Theory and Computation
|
November 22, 2015
Basis Set Dependence of Interaction Energies Computed Using Composite Post-MP2 Methods
James A Platts, J Grant Hill, Kevin E Riley, et al.
Molecules (Basel, Switzerland)
|
January 10, 2017
Ligands of Therapeutic Utility for the Liver X Receptors
Rajesh Komati, Dominick Spadoni, Shilong Zheng, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone
Kevin E Riley, Jane S Murray, Peter Politzer, et al.
Journal of Chemical Theory and Computation
|
November 27, 2015
Reference Quantum Chemical Calculations on RNA Base Pairs Directly Involving the 2'-OH Group of Ribose
Jiří Šponer, Marie Zgarbová, Petr Jurečka, et al.
Acta Crystallographica. Section E, Crystallographic Communications
|
September 19, 2018
Crystal structures of the hexa-fluorido-phosphate salts of the isomeric 2-, 3- and 4-cyano-1-methyl-pyridinium cations and determination of solid-state inter-action energies
Joel T Mague, Erin Larrabee, David Olivier, et al.
ACS Omega
|
December 5, 2022
Highly Selective Electrochemical Synthesis of Urea Derivatives Initiated from Oxygen Reduction in Ionic Liquids
Erin Witherspoon, Pinghua Ling, William Winchester, et al.
Journal of the American Chemical Society
|
May 5, 2005
Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein-ligand interaction
Kaushik Raha, Arjan J van der Vaart, Kevin E Riley, et al.
Journal of Molecular Modeling
|
May 31, 2012
Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds
Kevin E Riley, Jane S Murray, Jindřich Fanfrlík, et al.
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of 5