| 1 |
Comparison of hydrogen bonds, halogen bonds, C-H center dot center dot center dot pi interactions, and C-X center dot center dot center dot pi interactions using high-level ab initio methods
Riley KE, Ford CL, Demouchet K
Chemical Physics Letters, 621, 165, 2015 |
| 2 |
Assessment of the Performance of MP2 and MP2 Variants for the Treatment of Noncovalent Interactions
Riley KE, Platts JA, Rezac J, Hobza P, Hill JG
Journal of Physical Chemistry A, 116(16), 4159, 2012 |
| 3 |
Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories
Riley KE, Pitonak M, Jurecka P, Hobza P
Chemical Reviews, 110(9), 5023, 2010 |
| 4 |
A DFT-D investigation of the mechanisms for activation of the wild-type and S810L mutated mineralocorticoid receptor by steroid hormones
Riley KE, Hobza P
Journal of Physical Chemistry B, 112(10), 3157, 2008 |
| 5 |
Insights into the strength and origin of halogen bonding: The halobenzene-formaldehyde dimer
Riley KE, Merz KM
Journal of Physical Chemistry A, 111(9), 1688, 2007 |
| 6 |
Assessment of density functional theory methods for the computation of heats of formation and ionization potentials of systems containing third row transition metals
Riley KE, Merz KM
Journal of Physical Chemistry A, 111(27), 6044, 2007 |
| 7 |
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
Riley KE, Hobza P
Journal of Physical Chemistry A, 111(33), 8257, 2007 |
| 8 |
An ab initio investigation of the interactions involving the aromatic group of the set of fluorinated N-(4-sulfamylbenzoyl)benzylamine inhibitors and human carbonic anhydrase II
Riley KE, Cui GL, Merz KM
Journal of Physical Chemistry B, 111(20), 5700, 2007 |
| 9 |
Role of solvation in the energy stabilization inside the hydrophobic core of the protein rubredoxin
Riley KE, Merz KM
Journal of Physical Chemistry B, 110(32), 15650, 2006 |
| 10 |
Effects of fluorine substitution on the edge-to-face interaction of the benzene dimer
Riley KE, Merz KM
Journal of Physical Chemistry B, 109(37), 17752, 2005 |
