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List of works by Robert A Shaw

A Linear-Scaling Method for Noncovalent Interactions: An Efficient Combination of Absolutely Localized Molecular Orbitals and a Local Random Phase Approximation Approach

scientific article published on 10 September 2019

Approaching the Hartree-Fock Limit through the Complementary Auxiliary Basis Set Singles Correction and Auxiliary Basis Sets.

scientific article published on 28 February 2017

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

scientific article published on 23 November 2020

Computational Investigations of Dispersion Interactions between Small Molecules and Graphene-like Flakes

scientific article published on 09 November 2020

Exciton Dynamics of a Diketo-Pyrrolopyrrole Core for All Low-Lying Electronic Excited States Using Density Functional Theory-Based Methods

scientific article published on 24 February 2022

Halogen Bonding with Phosphine: Evidence for Mulliken Inner Complexes and the Importance of Relaxation Energy.

scientific article published on 4 October 2016

Prescreening and efficiency in the evaluation of integrals over ab initio effective core potentials.

scientific article published in August 2017

Psi4 1.4: Open-source software for high-throughput quantum chemistry

scientific article published on 01 May 2020

libecpint: A C++ library for the efficient evaluation of integrals over effective core potentials

scientific article published on 15 April 2021

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