☰

Kevin E. Riley, Ph.D. - Publications

Affiliations: 
2004 Pennsylvania State University, State College, PA, United States 
Area:
Quantum Chemistry/Molecular Dynamics/Reaction Kinetics
Tree Info Similar researchers PubMed Report error

25 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Řezáč J, Riley KE, Hobza P. Erratum to "S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures". Journal of Chemical Theory and Computation. 10: 1359-60. PMID 26580199 DOI: 10.1021/Ct5000692  0.322
2013 Platts JA, Hill JG, Riley KE, Řezáč J, Hobza P. Basis Set Dependence of Interaction Energies Computed Using Composite Post-MP2 Methods. Journal of Chemical Theory and Computation. 9: 330-7. PMID 26589036 DOI: 10.1021/Ct300842D  0.302
2013 Sedlak R, Riley KE, Řezáč J, Pitoňák M, Hobza P. MP2.5 and MP2.X: approaching CCSD(T) quality description of noncovalent interaction at the cost of a single CCSD iteration. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 14: 698-707. PMID 23315749 DOI: 10.1002/Cphc.201200850  0.302
2013 Riley KE, Hobza P. On the importance and origin of aromatic interactions in chemistry and biodisciplines. Accounts of Chemical Research. 46: 927-36. PMID 22872015 DOI: 10.1021/Ar300083H  0.321
2012 Řezáč J, Riley KE, Hobza P. Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules. Journal of Chemical Theory and Computation. 8: 4285-4292. PMID 26605592 DOI: 10.1021/Ct300647K  0.339
2012 Riley KE, Řezáč J, Hobza P. The performance of MP2.5 and MP2.X methods for nonequilibrium geometries of molecular complexes. Physical Chemistry Chemical Physics : Pccp. 14: 13187-93. PMID 22941183 DOI: 10.1039/C2Cp41874F  0.302
2012 Riley KE, Platts JA, ?ezá? J, Hobza P, Hill JG. Assessment of the performance of MP2 and MP2 variants for the treatment of noncovalent interactions Journal of Physical Chemistry A. 116: 4159-4169. PMID 22475190 DOI: 10.1021/Jp211997B  0.3
2011 Černý J, Pitoňák M, Riley KE, Hobza P. Complete Basis Set Extrapolation and Hybrid Schemes for Geometry Gradients of Noncovalent Complexes. Journal of Chemical Theory and Computation. 7: 3924-34. PMID 26598338 DOI: 10.1021/Ct200484E  0.333
2011 Riley KE, Řezáč J, Hobza P. MP2.X: a generalized MP2.5 method that produces improved binding energies with smaller basis sets. Physical Chemistry Chemical Physics : Pccp. 13: 21121-5. PMID 22025174 DOI: 10.1039/C1Cp22525A  0.316
2011 Rezáč J, Riley KE, Hobza P. S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures. Journal of Chemical Theory and Computation. 7: 2427-2438. PMID 21836824 DOI: 10.1021/Ct2002946  0.377
2011 Riley KE, Hobza P. Noncovalent interactions in biochemistry Wiley Interdisciplinary Reviews: Computational Molecular Science. 1: 3-17. DOI: 10.1002/Wcms.8  0.409
2010 Riley KE, Pitoňák M, Černý J, Hobza P. On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X-H···π): WFT and DFT Calculations. Journal of Chemical Theory and Computation. 6: 66-80. PMID 26614320 DOI: 10.1021/Ct900376R  0.362
2010 Riley KE, Pitonák M, Jurecka P, Hobza P. Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories. Chemical Reviews. 110: 5023-63. PMID 20486691 DOI: 10.1021/Cr1000173  0.347
2009 Šponer J, Zgarbová M, Jurečka P, Riley KE, Šponer JE, Hobza P. Reference Quantum Chemical Calculations on RNA Base Pairs Directly Involving the 2'-OH Group of Ribose. Journal of Chemical Theory and Computation. 5: 1166-79. PMID 26609626 DOI: 10.1021/Ct800547K  0.302
2009 Berka K, Laskowski R, Riley KE, Hobza P, Vondrášek J. Representative Amino Acid Side Chain Interactions in Proteins. A Comparison of Highly Accurate Correlated ab Initio Quantum Chemical and Empirical Potential Procedures. Journal of Chemical Theory and Computation. 5: 982-92. PMID 26609607 DOI: 10.1021/Ct800508V  0.363
2008 Pitonák M, Riley KE, Neogrády P, Hobza P. Highly accurate CCSD(T) and DFT-SAPT stabilization energies of H-bonded and stacked structures of the uracil dimer. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 9: 1636-44. PMID 18574830 DOI: 10.1002/Cphc.200800286  0.378
2007 Riley KE, Op't Holt BT, Merz KM. Critical Assessment of the Performance of Density Functional Methods for Several Atomic and Molecular Properties. Journal of Chemical Theory and Computation. 3: 407-433. PMID 19002267 DOI: 10.1021/ct600185a  0.345
2007 Riley KE, Vondrásek J, Hobza P. Performance of the DFT-D method, paired with the PCM implicit solvation model, for the computation of interaction energies of solvated complexes of biological interest. Physical Chemistry Chemical Physics : Pccp. 9: 5555-60. PMID 17957311 DOI: 10.1039/B708089A  0.304
2005 Riley KE, Brothers EN, Ayers KB, Merz KM. Accurate Atomic and Molecular Calculations without Gradient Corrections:  Scaled SVWNV Density Functional. Journal of Chemical Theory and Computation. 1: 546-53. PMID 26641674 DOI: 10.1021/Ct050007C  0.441
2005 Riley KE, Merz KM. Effects of fluorine substitution on the edge-to-face interaction of the benzene dimer. The Journal of Physical Chemistry. B. 109: 17752-6. PMID 16853270 DOI: 10.1021/Jp052411D  0.363
2005 Raha K, van der Vaart AJ, Riley KE, Peters MB, Westerhoff LM, Kim H, Merz KM. Pairwise decomposition of residue interaction energies using semiempirical quantum mechanical methods in studies of protein-ligand interaction. Journal of the American Chemical Society. 127: 6583-94. PMID 15869279 DOI: 10.1021/Ja042666P  0.389
2003 Riley KE, Anderson JB. A self-consistent method for the generation of configuration interaction coefficients using variational Monte Carlo Molecular Physics. 101: 3129-3131. DOI: 10.1080/00268970310001620177A  0.551
2003 Riley KE, Anderson JB. Higher accuracy quantum Monte Carlo calculations of the barrier for the H+H2 reaction Journal of Chemical Physics. 118: 3437-3438. DOI: 10.1063/1.1527012  0.484
2003 Riley KE, Anderson JB. A self-consistent method for the generation of configuration interaction coefficients using variational Monte Carlo Molecular Physics. 101: 3129-3131.  0.44
2002 Riley KE, Anderson JB. A new variational Monte Carlo trial wavefunction with directional Jastrow functions Chemical Physics Letters. 366: 153-156. DOI: 10.1016/S0009-2614(02)01530-0  0.487
Show low-probability matches.