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7 results in Authors: Grant Hill

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

765

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Theoretical and Computational Chemistry

Working Paper

A linear-scaling method for non-covalent interactions

Robert Shaw, Grant Hill

Version 1 posted 22 May 2019

604

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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

911

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Citations

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

389

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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

213

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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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Materials Science

Working Paper

Asymmetric pathways for lithium extraction and recovery based on the two-phase equilibrium of layered oxides

Grant Hill, Raphael Stone, Yu Han, Jiadong Liu, Siqi Zou, Hua Zhou, Chong Liu

Version 1 posted 30 July 2024

262

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7 results in Grant Hill in Authors: Grant Hill

BasisOpt: a Python package for quantum chemistry basis set optimization

A linear-scaling method for non-covalent interactions

A simple model for halogen bonds

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

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

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

Asymmetric pathways for lithium extraction and recovery based on the two-phase equilibrium of layered oxides

7 results in Authors: Grant Hill