Kevin Riley
Název
Citace
Citace
Rok
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
7212010
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
6852011
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
4052008
σ-Holes, π-holes and electrostatically-driven interactions
JS Murray, P Lane, T Clark, KE Riley, P Politzer
Journal of molecular modeling 18 (2), 541-548, 2012
3872012
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
3532008
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
3192007
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 (12), 3309-3318, 2011
3182011
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
3092012
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
2982009
Directional weak intermolecular interactions: σ-hole bonding
JS Murray, KE Riley, P Politzer, T Clark
Australian journal of chemistry 63 (12), 1598-1607, 2010
2222010
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
2152012
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
1852010
Noncovalent interactions in biochemistry
KE Riley, P Hobza
Wiley Interdisciplinary Reviews: Computational Molecular Science 1 (1), 3-17, 2011
1802011
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
1792007
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
1762011
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
1642013
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 (11), 4651-4659, 2013
1612013
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
1582007
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
1282008
Highly Accurate CCSD (T) and DFT–SAPT Stabilization Energies of H‐Bonded and Stacked Structures of the Uracil Dimer
M Pitoňák, KE Riley, P Neogrady, P Hobza
ChemPhysChem 9 (11), 1636-1644, 2008
1272008
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Články 1–20