John Grant Hill

12PUBLICATIONS
11CO-AUTHORS
Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistryMain group metal chemistryAtomic and molecular physicsMetal organic frameworks
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Publications (12)

|Mar 15, 2024
Diffuse basis functions for explicitly correlated calculations on the heavy p-block: aug-cc-pVnZ-PP-F12 sets for Ga-Kr, In-Xe, and Tl-Rn.

J Grant Hill

|Jul 25, 2023
BasisOpt: A Python package for quantum chemistry basis set optimization.

Robert A Shaw, J Grant Hill

|Jan 13, 2023
Correlation consistent auxiliary basis sets in density fitting Hartree-Fock: The atoms sodium through argon revisited.

Harry W Nash, Robert A Shaw, John Grant Hill

|Aug 17, 2022
Correlation Consistent Basis Sets and Core Polarization Potentials for Al-Ar with ccECP Pseudopotentials.

Adam N Hill, Anthony J H M Meijer, J Grant Hill

|Apr 15, 2022
Radial Potential Energy Functions of Linear Halogen-Bonded Complexes YX···ClF (YX = FB, OC, SC, N2) and the Effects of Substituting X by Second-Row Analogues: Mulliken Inner and Outer Complexes.

J Grant Hill, Anthony C Legon

|Nov 23, 2020
CHARMM-DYES: Parameterization of Fluorescent Dyes for Use with the CHARMM Force Field.

Robert A Shaw, Tristan Johnston-Wood, Benjamin Ambrose

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Frequent Collaborators

2 joint publications

Kirk A Peterson

2 joint publications

Anthony C Legon

2 joint publications

Robert A Shaw

1 joint publications

Henry F Schaefer