| S66: A well-balanced database of benchmark interaction energies relevant to biomolecular structures J Rezác, KE Riley, P Hobza Journal of chemical theory and computation 7 (8), 2427-2438, 2011 | 1000 | 2011 |
| Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories KE Riley, M Pitonák, P Jurecka, P Hobza Chemical Reviews 110 (9), 5023-5063, 2010 | 865 | 2010 |
| σ-Holes, π-holes and electrostatically-driven interactions JS Murray, P Lane, T Clark, KE Riley, P Politzer Journal of molecular modeling 18, 541-548, 2012 | 602 | 2012 |
| Investigations into the nature of halogen bonding including symmetry adapted perturbation theory analyses KE Riley, P Hobza Journal of Chemical Theory and Computation 4 (2), 232-242, 2008 | 457 | 2008 |
| Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine KE Riley, JS Murray, J Fanfrlík, J Řezáč, RJ Solá, MC Concha, FM Ramos, ... Journal of molecular modeling 17, 3309-3318, 2011 | 420 | 2011 |
| Nature and magnitude of aromatic stacking of nucleic acid bases J Šponer, KE Riley, P Hobza Physical Chemistry Chemical Physics 10 (19), 2595-2610, 2008 | 397 | 2008 |
| Critical assessment of the performance of density functional methods for several atomic and molecular properties KE Riley, BT Op't Holt, KM Merz Journal of chemical theory and computation 3 (2), 407-433, 2007 | 371 | 2007 |
| Perspectives on halogen bonding and other σ-hole interactions: Lex parsimoniae (Occam’s Razor) P Politzer, KE Riley, FA Bulat, JS Murray Computational and Theoretical Chemistry 998, 2-8, 2012 | 364 | 2012 |
| Br··· O complexes as probes of factors affecting halogen bonding: interactions of bromobenzenes and bromopyrimidines with acetone KE Riley, JS Murray, P Politzer, MC Concha, P Hobza Journal of Chemical Theory and Computation 5 (1), 155-163, 2009 | 340 | 2009 |
| Benchmark calculations of noncovalent interactions of halogenated molecules J Rezac, KE Riley, P Hobza Journal of Chemical Theory and Computation 8 (11), 4285-4292, 2012 | 313 | 2012 |
| Noncovalent interactions in biochemistry KE Riley, P Hobza Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (1), 3-17, 2011 | 288 | 2011 |
| On the importance and origin of aromatic interactions in chemistry and biodisciplines KE Riley, P Hobza Accounts of chemical research 46 (4), 927-936, 2013 | 268 | 2013 |
| Directional weak intermolecular interactions: σ-hole bonding JS Murray, KE Riley, P Politzer, T Clark Australian journal of chemistry 63 (12), 1598-1607, 2010 | 260 | 2010 |
| Extensions of the S66 data set: more accurate interaction energies and angular-displaced nonequilibrium geometries J Rezác, KE Riley, P Hobza Journal of Chemical Theory and Computation 7 (11), 3466-3470, 2011 | 248 | 2011 |
| 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 KE Riley, P Hobza The Journal of Physical Chemistry A 111 (33), 8257-8263, 2007 | 213 | 2007 |
| Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds KE Riley, JS Murray, J Fanfrlík, J Řezáč, RJ Solá, MC Concha, FM Ramos, ... Journal of molecular modeling 19, 4651-4659, 2013 | 209 | 2013 |
| On the structure and geometry of biomolecular binding motifs (hydrogen-bonding, stacking, X− H··· π): WFT and DFT calculations KE Riley, M Pitonak, J Cerny, P Hobza Journal of Chemical Theory and Computation 6 (1), 66-80, 2010 | 199 | 2010 |
| Insights into the strength and origin of halogen bonding: the halobenzene− formaldehyde dimer KE Riley, KM Merz The Journal of Physical Chemistry A 111 (9), 1688-1694, 2007 | 177 | 2007 |
| Quantum chemical benchmark energy and geometry database for molecular clusters and complex molecular systems (www. begdb. com): a users manual and examples J Řezáč, P Jurečka, KE Riley, J Černý, H Valdes, K Pluháčková, K Berka, ... Collection of Czechoslovak Chemical Communications 73 (10), 1261-1270, 2008 | 167 | 2008 |
| The relative roles of electrostatics and dispersion in the stabilization of halogen bonds KE Riley, P Hobza Physical Chemistry Chemical Physics 15 (41), 17742-17751, 2013 | 156 | 2013 |
Jan ŘezáčResearcher at Institute of Organic Chemistry and Biochemistry AS CR在 uochb.cas.cz 的电子邮件经过验证
