Kevin E Riley

发表

Erratum to “S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures”

Pavel Hobza, Kevin E. Riley, Jan Řezáč, 2014, Journal of chemical theory and computation.

Complete Basis Set Extrapolation and Hybrid Schemes for Geometry Gradients of Noncovalent Complexes.

Pavel Hobza, Kevin E. Riley, Jiří Černý, 2011, Journal of chemical theory and computation.

Polarization-induced σ-holes and hydrogen bonding

Timothy Clark, Kevin E. Riley, Matthias Hennemann, 2012, Journal of Molecular Modeling.

Accurate Atomic and Molecular Calculations without Gradient Corrections: Scaled SVWNV Density Functional.

Kevin E. Riley, Kenneth M Merz, Edward N Brothers, 2005, Journal of chemical theory and computation.

Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories.

Pavel Hobza, Kevin E. Riley, Petr Jurecka, 2010, Chemical reviews.

The relative roles of electrostatics and dispersion in the stabilization of halogen bonds.

Pavel Hobza, Kevin E. Riley, Kevin E Riley, 2013, Physical chemistry chemical physics : PCCP.

Assessment of the MP2 method, along with several basis sets, for the computation of interaction energies of biologically relevant hydrogen bonded and dispersion bound complexes.

Pavel Hobza, Kevin E. Riley, Kevin E Riley, 2007, The journal of physical chemistry. A.

Critical Assessment of the Performance of Density Functional Methods for Several Atomic and Molecular Properties.

Kevin E. Riley, Kenneth M Merz, Kevin E Riley, 2007, Journal of chemical theory and computation.

Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein-ligand interaction.

Kevin E. Riley, Lance M. Westerhoff, Kenneth M Merz, 2005, Journal of the American Chemical Society.

Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone.

Pavel Hobza, Kevin E. Riley, Peter Politzer, 2009, Journal of chemical theory and computation.

MP2.X: a generalized MP2.5 method that produces improved binding energies with smaller basis sets.

Pavel Hobza, Kevin E. Riley, Jan Řezáč, 2011, Physical chemistry chemical physics : PCCP.

Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses.

Pavel Hobza, Kevin E. Riley, Kevin E Riley, 2008, Journal of chemical theory and computation.

Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer.

Pavel Hobza, Kevin E. Riley, Michal Pitonák, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X-H···π): WFT and DFT Calculations.

Pavel Hobza, Kevin E. Riley, Jiří Černý, 2010, Journal of chemical theory and computation.

Assessment of the performance of MP2 and MP2 variants for the treatment of noncovalent interactions.

Pavel Hobza, Kevin E. Riley, James A Platts, 2012, The journal of physical chemistry. A.

Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine

Jindřich Fanfrlík, Kevin E. Riley, Peter Politzer, 2011, Journal of molecular modeling.

Assessment of density functional theory methods for the computation of heats of formation and ionization potentials of systems containing third row transition metals.

Kevin E. Riley, Kenneth M Merz, Kevin E Riley, 2007, The journal of physical chemistry. A.

Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules.

Pavel Hobza, Kevin E. Riley, Jan Řezáč, 2012, Journal of chemical theory and computation.

Insights into the strength and origin of halogen bonding: the halobenzene-formaldehyde dimer.

Kevin E. Riley, Kenneth M Merz, Kevin E Riley, 2007, The journal of physical chemistry. A.

MP2.5 and MP2.X: approaching CCSD(T) quality description of noncovalent interaction at the cost of a single CCSD iteration.

Pavel Hobza, Kevin E. Riley, Jan Řezáč, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.