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6 results in Authors: Grant Hill

Theoretical and Computational Chemistry

Working Paper

A linear-scaling method for non-covalent interactions

Robert Shaw, Grant Hill

Version 1 posted 22 May 2019

581

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Theoretical and Computational Chemistry

Working Paper

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

Grant Hill

Version 1 posted 22 December 2023

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Theoretical and Computational Chemistry

Working Paper

Correlation consistent auxiliary basis sets in density fitting Hartree-Fock. The atoms sodium through argon revisited.

Harry Nash, Robert Shaw, Grant Hill

Version 1 posted 16 August 2022

169

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Theoretical and Computational Chemistry

Working Paper

CHARMM-DYES: Parameterization of Fluorescent Dyes for Use with the CHARMM Forcefield

Robert Shaw, Tristan Johnston-Wood, Benjamin Ambrose, Timothy Craggs, Grant Hill

Version 1 posted 03 July 2020

353

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Theoretical and Computational Chemistry

Working Paper

A simple model for halogen bonds

Robert A. Shaw, Grant Hill

Version 1 posted 11 June 2018

893

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Theoretical and Computational Chemistry

Working Paper

BasisOpt: a Python package for quantum chemistry basis set optimization

Robert Shaw, Grant Hill

Version 2 posted 23 March 2023

555

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6 results in Grant Hill in Authors: Grant Hill

A linear-scaling method for non-covalent interactions

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

Correlation consistent auxiliary basis sets in density fitting Hartree-Fock. The atoms sodium through argon revisited.

CHARMM-DYES: Parameterization of Fluorescent Dyes for Use with the CHARMM Forcefield

A simple model for halogen bonds

BasisOpt: a Python package for quantum chemistry basis set optimization

6 results in Authors: Grant Hill