Kevin E. Riley, Ph.D.
Affiliations: | 2004 | Pennsylvania State University, State College, PA, United States |
Area:
Quantum Chemistry/Molecular Dynamics/Reaction KineticsGoogle:
"Kevin Riley"Mean distance: 10.05 | S | N | B | C | P |
Parents
Sign in to add mentor| James B. Anderson | grad student | 2004 | Penn State | |
| (Methods and applications of the quantum Monte Carlo method for atomic and molecular electronic structure calculations.) | ||||
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Publications
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| Řezáč J, Riley KE, Hobza P. (2014) Erratum to "S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures". Journal of Chemical Theory and Computation. 10: 1359-60 |
| Platts JA, Hill JG, Riley KE, et al. (2013) Basis Set Dependence of Interaction Energies Computed Using Composite Post-MP2 Methods. Journal of Chemical Theory and Computation. 9: 330-7 |
| Sedlak R, Riley KE, Řezáč J, et al. (2013) 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 |
| Riley KE, Hobza P. (2013) On the importance and origin of aromatic interactions in chemistry and biodisciplines. Accounts of Chemical Research. 46: 927-36 |
| Řezáč J, Riley KE, Hobza P. (2012) Benchmark Calculations of Noncovalent Interactions of Halogenated Molecules. Journal of Chemical Theory and Computation. 8: 4285-4292 |
| Riley KE, Řezáč J, Hobza P. (2012) The performance of MP2.5 and MP2.X methods for nonequilibrium geometries of molecular complexes. Physical Chemistry Chemical Physics : Pccp. 14: 13187-93 |
| Riley KE, Platts JA, ?ezá? J, et al. (2012) Assessment of the performance of MP2 and MP2 variants for the treatment of noncovalent interactions Journal of Physical Chemistry A. 116: 4159-4169 |
| Černý J, Pitoňák M, Riley KE, et al. (2011) Complete Basis Set Extrapolation and Hybrid Schemes for Geometry Gradients of Noncovalent Complexes. Journal of Chemical Theory and Computation. 7: 3924-34 |
| Riley KE, Řezáč J, Hobza P. (2011) MP2.X: a generalized MP2.5 method that produces improved binding energies with smaller basis sets. Physical Chemistry Chemical Physics : Pccp. 13: 21121-5 |
| Rezáč J, Riley KE, Hobza P. (2011) S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures. Journal of Chemical Theory and Computation. 7: 2427-2438 |