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The Journal of Chemical Physics|November 7, 2021
Correlation consistent basis sets for explicitly correlated wavefunctions: Pseudopotential-based basis sets for the group 11 (Cu, Ag, Au) and 12 (Zn, Cd, Hg) elementsJ Grant Hill, Robert A ShawThe Journal of Chemical Physics|August 24, 2017
Prescreening and efficiency in the evaluation of integrals over ab initio effective core potentialsRobert A Shaw, J Grant HillJournal of Chemical Theory and Computation|March 1, 2017
Approaching the Hartree-Fock Limit through the Complementary Auxiliary Basis Set Singles Correction and Auxiliary Basis SetsRobert A Shaw, J Grant HillThe Journal of Chemical Physics|July 25, 2023
BasisOpt: A Python package for quantum chemistry basis set optimizationRobert A Shaw, J Grant HillJournal of Chemical Theory and Computation|August 30, 2019
A Linear-Scaling Method for Noncovalent Interactions: An Efficient Combination of Absolutely Localized Molecular Orbitals and a Local Random Phase Approximation ApproachRobert A Shaw, J Grant HillThe Journal of Physical Chemistry. A|October 5, 2016
Halogen Bonding with Phosphine: Evidence for Mulliken Inner Complexes and the Importance of Relaxation EnergyRobert A Shaw, J Grant Hill, Anthony C LegonJournal of Chemical Theory and Computation|November 23, 2020
CHARMM-DYES: Parameterization of Fluorescent Dyes for Use with the CHARMM Force FieldRobert A Shaw, Tristan Johnston-Wood, Benjamin Ambrose, et al.Physical Chemistry Chemical Physics : PCCP|June 27, 2018
Interplay between hydrogen bonding and n→π* interaction in an analgesic drug salicinSantosh K Singh, Prasad Ramesh Joshi, Robert A Shaw, et al.The Journal of Chemical Physics|August 3, 2011
Auxiliary basis sets for density fitting second-order Møller-Plesset perturbation theory: correlation consistent basis sets for the 5d elements Hf-PtJ Grant HillPhysical Chemistry Chemical Physics : PCCP|August 9, 2014
The halogen bond in thiirane···ClF: an example of a Mulliken inner complexJ Grant HillPageof 9