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R. J. Boyd · SciRah

Researcher profile · Semantic Scholar

R. J. Boyd

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R. J. Boyd — researcher profile on SciRah

h-index: 45
Works: 321
Citations: 9,553

Most-cited papers

The Quantum Theory of Atoms in Molecules
C. Matta, R. J. Boyd
20071,120 citations
Semantic Scholar
The Quantum theory of atoms in molecules : from solid state to DNA and drug design
C. Matta, R. J. Boyd
2007818 citations
Semantic Scholar
An Introduction to the Quantum Theory of Atoms in Molecules
C. Matta, R. J. Boyd
2007229 citations
Semantic Scholar
Extended weak bonding interactions in DNA: pi-stacking (base-base), base-backbone, and backbone-backbone interactions.
C. Matta, Norberto Castillo, R. J. Boyd
2006Journal of Physical Chemistry B208 citations
Semantic Scholar
Characterization of a closed-shell fluorine-fluorine bonding interaction in aromatic compounds on the basis of the electron density.
C. Matta, Norberto Castillo, R. J. Boyd
2005Journal of Physical Chemistry A153 citations
Semantic Scholar
A Density Functional Study of Methanol Clusters.
S. L. Boyd, R. J. Boyd
2007Journal of Chemical Theory and Computation120 citations
Semantic Scholar
Molecular model with quantum mechanical bonding information.
Hugo J. Bohórquez, R. J. Boyd, C. Matta
2011Journal of Physical Chemistry A91 citations
Semantic Scholar
Six questions on topology in theoretical chemistry
P. Ayers, R. J. Boyd, P. Bultinck, M. Caffarel +21 more
201588 citations Open access
Semantic Scholar
The localized electrons detector as an ab initio representation of molecular structures
Hugo J. Bohórquez, C. Matta, R. J. Boyd
201066 citations
Semantic Scholar
Cooperativity between hydrogen bonds and beryllium bonds in (H2O)(n)BeX2 (n = 1-3, X = H, F) complexes. A new perspective.
Laura Albrecht, R. J. Boyd, O. Mó, M. Yáñez
2012Physical Chemistry, Chemical Physics - PCCP57 citations
Semantic Scholar
Atomic contributions to bond dissociation energies in aliphatic hydrocarbons.
C. Matta, Norberto Castillo, R. J. Boyd
2006Journal of Chemical Physics54 citations
Semantic Scholar
Changing weak halogen bonds into strong ones through cooperativity with beryllium bonds.
Laura Albrecht, R. J. Boyd, O. Mó, M. Yáñez
2014Journal of Physical Chemistry A49 citations
Semantic Scholar
QTAIM study of an alpha-helix hydrogen bond network.
Shenna M. LaPointe, S. Farrag, Hugo J. Bohórquez, R. J. Boyd
2009Journal of Physical Chemistry B47 citations
Semantic Scholar
Density functional theory study of the reaction mechanism and energetics of the reduction of hydrogen peroxide by ebselen, ebselen diselenide, and ebselen selenol.
Jason K. Pearson, R. J. Boyd
2007Journal of Physical Chemistry A46 citations Open access
Semantic Scholar
Fluorine-Fluorine Spin-Spin Coupling Constants in Aromatic Compounds: Correlations with the Delocalization Index and with the Internuclear Separation
Norberto Castillo, C. Matta, R. J. Boyd
2005Journal of Chemical Information and Modeling41 citations
Semantic Scholar
The first example of a cage critical point in a single ring: A novel twisted α-helical ring topology
Norberto Castillo, C. Matta, R. J. Boyd
200541 citations
Semantic Scholar
Hydrogen bond cooperativity in water hexamers: atomic energy perspective of local stabilities.
Laura Albrecht, S. Chowdhury, R. J. Boyd
2013Journal of Physical Chemistry A40 citations
Semantic Scholar
Effect of substituents on the GPx-like activity of ebselen: steric versus electronic.
Jason K. Pearson, R. J. Boyd
2008Journal of Physical Chemistry A39 citations
Semantic Scholar
A localized electrons detector for atomic and molecular systems
Hugo J. Bohórquez, R. J. Boyd
201037 citations
Semantic Scholar
Visualizing internal stabilization in weakly bound systems using atomic energies: hydrogen bonding in small water clusters.
Laura Albrecht, R. J. Boyd
2012Journal of Physical Chemistry A35 citations
Semantic Scholar
The Hydrated Electron as a Pseudo-Atom in Cavity-Bound Water Clusters.
A. Taylor, C. Matta, R. J. Boyd
2007Journal of Chemical Theory and Computation33 citations
Semantic Scholar
Can correlation bring electrons closer together?
Jason K. Pearson, P. Gill, J. Ugalde, R. J. Boyd
200932 citations
Semantic Scholar
Modeling the reduction of hydrogen peroxide by glutathione peroxidase mimics.
Jason K. Pearson, R. J. Boyd
2006Journal of Physical Chemistry A32 citations
Semantic Scholar
On the local representation of the electronic momentum operator in atomic systems.
Hugo J. Bohórquez, R. J. Boyd
2008Journal of Chemical Physics31 citations
Semantic Scholar
A density functional theory study of the mechanism of the Paal–Knorr pyrrole synthesis
B. Mothana, R. J. Boyd
200731 citations
Semantic Scholar
Systematic study of the performance of density functional theory methods for prediction of energies and geometries of organoselenium compounds.
G. Heverly-Coulson, R. J. Boyd
2011Journal of Physical Chemistry A30 citations
Semantic Scholar
Reduction of hydrogen peroxide by glutathione peroxidase mimics: reaction mechanism and energetics.
G. Heverly-Coulson, R. J. Boyd
2010Journal of Physical Chemistry A30 citations Open access
Semantic Scholar
The effect of multiplicity on the size of iron(II) and the structure of iron(II) porphyrins.
V. E. Walker, Norberto Castillo, C. Matta, R. J. Boyd
2010Journal of Physical Chemistry A27 citations
Semantic Scholar
An evaluation of various computational methods for the treatment of organoselenium compounds.
Jason K. Pearson, Fu-Qiang Ban, R. J. Boyd
2005Journal of Physical Chemistry A26 citations
Semantic Scholar
Atomic energy analysis of cooperativity, anti-cooperativity, and non-cooperativity in small clusters of methanol, water, and formaldehyde
Laura Albrecht, R. J. Boyd
201525 citations
Semantic Scholar
Assessment of several DFT functionals in calculation of the reduction potentials for Ni-, Pd-, and Pt-bis-ethylene-1,2-dithiolene and -diselenolene complexes.
Eric A. C. Bushnell, R. J. Boyd
2015Journal of Physical Chemistry A25 citations
Semantic Scholar
Is the size of an atom determined by its ionization energy
Hugo J. Bohórquez, R. J. Boyd
200924 citations
Semantic Scholar
Evaluation of effective core potentials and basis sets for the prediction of the geometries of alkyltin halides.
Sarah R. Whittleton, R. J. Boyd, T. Grindley
2006Journal of Physical Chemistry A23 citations
Semantic Scholar
Balancing Exchange Mixing in Density-Functional Approximations for Iron Porphyrin.
Victoria E. J. Berryman, R. J. Boyd, E. Johnson
2015Journal of Chemical Theory and Computation22 citations
Semantic Scholar
An Electron Density Source‐Function Study of DNA Base Pairs in Their Neutral and Ionized Ground States†
C. Gatti, G. Macetti, R. J. Boyd, C. Matta
2018Journal of Computational Chemistry18 citations Open access
Semantic Scholar
Electronic energy changes associated with Guanine quadruplex formation: an investigation at the atomic level.
A. Taylor, Justine Taylor, G. Watson, R. J. Boyd
2010Journal of Physical Chemistry B18 citations Open access
Semantic Scholar
Modeling competitive reaction mechanisms of peroxynitrite oxidation of guanine.
Ning Liu, Fu-Qiang Ban, R. J. Boyd
2006Journal of Physical Chemistry A18 citations
Semantic Scholar
Theoretical investigations on the reaction of monosubstituted tertiary-benzylamine selenols with hydrogen peroxide.
G. Heverly-Coulson, R. J. Boyd
2010Journal of Physical Chemistry A17 citations
Semantic Scholar
Bond length and the electron density at the bond critical point: XX, ZZ, and CZ bonds (X = Li‐F, Z = Na‐Cl)
Norberto Castillo, K. Robertson, S. C. Choi, R. J. Boyd +1 more
2008Journal of Computational Chemistry16 citations
Semantic Scholar
Revealing unexpected mechanisms for nucleophilic attack on S-S and Se-Se bridges.
G. Heverly-Coulson, R. J. Boyd, O. Mó, M. Yáñez
2013Chemistry14 citations
Semantic Scholar
Kinetics and Thermodynamics of the Monomer-Dimer Equilibria of Dialkoxydibutylstannanes.
Sarah R. Whittleton, Alfred J. Rolle, R. J. Boyd, T. Grindley
201014 citations
Semantic Scholar
Mechanism of the Reduction of an Oxidized Glutathione Peroxidase Mimic with Thiols.
G. Heverly-Coulson, R. J. Boyd
2012Journal of Chemical Theory and Computation13 citations
Semantic Scholar
Effect of amino acid ligands on the structure of iron porphyrins and their ability to bind oxygen.
Victoria E. J. Berryman, M. G. Baker, R. J. Boyd
2014Journal of Physical Chemistry A12 citations
Semantic Scholar
Organotin bond dissociation energies: An interesting challenge for contemporary computational methods
Matt R. Adams, Eric A. C. Bushnell, T. Grindley, R. J. Boyd
201412 citations
Semantic Scholar
Gas-Phase Interaction of Calcium (Ca(2+)) with Seleno Derivatives of Uracil.
A. Lamsabhi, O. Mó, M. Yáñez, R. J. Boyd
2008Journal of Chemical Theory and Computation12 citations
Semantic Scholar
Theoretical study of polaron formation in poly(G)-poly(C) cations.
Ji'an Wu, V. E. Walker, R. J. Boyd
2011Journal of Physical Chemistry B11 citations
Semantic Scholar
Calibration of a computational scheme for solvation: Group I and II metal ions bound to water, formaldehyde and ammonia
B. Viswanathan, C. Barden, Fu-Qiang Ban, R. J. Boyd
200511 citations
Semantic Scholar
The one-electron reduction of dithiolate and diselenolate ligands.
Eric A. C. Bushnell, T. D. Burns, R. J. Boyd
2014Physical Chemistry, Chemical Physics - PCCP10 citations
Semantic Scholar
The effect of electron-withdrawing groups on 15N and 13C chemical shifts: a density functional study on a series of pyrroles
B. Mothana, Fu-Qiang Ban, R. J. Boyd, A. Thompson +1 more
200510 citations
Semantic Scholar
Computational insights into the suicide inhibition of Plasmodium falciparum Fk506-binding protein 35.
C. MacDonald, R. J. Boyd
2015Bioorganic & Medicinal Chemistry Letters9 citations
Semantic Scholar

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C. Matta×13
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C. Matta — researcher profile on SciRah
Norberto Castillo×7
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Hugo J. Bohórquez×6
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Laura Albrecht×5
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Jason K. Pearson

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