K
Kevin E. Riley
Researcher at Xavier University of Louisiana
Publications - 59
Citations - 7492
Kevin E. Riley is an academic researcher from Xavier University of Louisiana. The author has contributed to research in topics: Halogen bond & Hydrogen bond. The author has an hindex of 33, co-authored 58 publications receiving 6883 citations. Previous affiliations of Kevin E. Riley include University of Puerto Rico, Río Piedras & Academy of Sciences of the Czech Republic.
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S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures.
TL;DR: A large new database of interaction energies calculated using an accurate CCSD(T)/CBS scheme is presented, designed to cover the most common types of noncovalent interactions in biomolecules, while keeping a balanced representation of dispersion and electrostatic contributions.
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Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories.
TL;DR: In the past 20 years, there has witnessed an enormous growth of interest in the fast and accurate calculation of intermolecular interactions, particularly with beyond-SCF methods.
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σ-Holes, π-holes and electrostatically-driven interactions
TL;DR: While the electrostatic interaction is a major driving force in π-hole bonding, a gradation is found from weakly noncovalent to considerably stronger with possible indications of some degree of coordinate covalency.
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Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses.
Kevin E. Riley,Pavel Hobza +1 more
TL;DR: One of the most important findings in this study is that, according to symmetry adapted perturbation theory (SAPT) analyses, halogen bonds are largely dependent on both electrostatic and dispersion type interactions.
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Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine
Kevin E. Riley,Jane S. Murray,Jindřich Fanfrlík,Jan Rezac,Ricardo J. Solá,Monica C. Concha,Felix M. Ramos,Peter Politzer +7 more
TL;DR: It is seen that the substitution of fluorines in systems containing smaller halogens results in electrostatic potentials resembling those of systems with larger halogens, with correspondingly stronger interaction energies, and it is shown that aromatic fluorine substitutions affect the optimal geometries of the halogen-bonded complexes.