Publications by authors named "Montgomery Gray"

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Revisiting the Half-and-Half Functional.
Montgomery Gray, Aniket Mandal, John M Herbert

J Phys Chem A· May 2025

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Testing a Heterogeneous Polarizable Continuum Model against Exact Poisson Boundary Conditions.
Paige E Bowling, Montgomery Gray, Suranjan K Paul, John M Herbert

J Chem Theory Comput· February 2025

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Substituent and Heteroatom Effects on π-π Interactions: Evidence That Parallel-Displaced π-Stacking is Not Driven by Quadrupolar Electrostatics.
Brandon Schramm, Montgomery Gray, John M Herbert

J Am Chem Soc· January 2025

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Comment on "Benchmarking Basis Sets for Density Functional Theory Thermochemistry Calculations: Why Unpolarized Basis Sets and the Polarized 6-311G Family Should Be Avoided".
Montgomery Gray, Paige E Bowling, John M Herbert

J Phys Chem A· September 2024

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Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes.
Montgomery Gray, John M Herbert

J Chem Phys· August 2024

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Systematic Evaluation of Counterpoise Correction in Density Functional Theory.
Montgomery Gray, Paige E Bowling, John M Herbert

J Chem Theory Comput· November 2022

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Comprehensive Basis-Set Testing of Extended Symmetry-Adapted Perturbation Theory and Assessment of Mixed-Basis Combinations to Reduce Cost.
Montgomery Gray, John M Herbert

J Chem Theory Comput· April 2022

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Simplified tuning of long-range corrected density functionals for use in symmetry-adapted perturbation theory.
Montgomery Gray, John M Herbert

J Chem Phys· July 2021

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Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates.
Montgomery Gray, Michael T Hines, Mahesh M Parsutkar, A J Wahlstrom, Nicholas A Brunelli

ACS Catal· April 2020

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