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Journal of Chemical Theory and Computation
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March 15, 2022
Comprehensive Basis-Set Testing of Extended Symmetry-Adapted Perturbation Theory and Assessment of Mixed-Basis Combinations to Reduce Cost
Montgomery Gray, John M Herbert
The Journal of Chemical Physics
|
July 23, 2021
Simplified tuning of long-range corrected density functionals for use in symmetry-adapted perturbation theory
Montgomery Gray, John M Herbert
The Journal of Chemical Physics
|
August 6, 2024
Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes
Montgomery Gray, John M Herbert
Journal of the American Chemical Society
|
January 17, 2025
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
The Journal of Physical Chemistry. A
|
April 21, 2025
Revisiting the Half-and-Half Functional
Montgomery Gray, Aniket Mandal, John M Herbert
The Journal of Physical Chemistry. A
|
August 27, 2024
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
Journal of Chemical Theory and Computation
|
October 17, 2022
Systematic Evaluation of Counterpoise Correction in Density Functional Theory
Montgomery Gray, Paige E Bowling, John M Herbert
Journal of Chemical Theory and Computation
|
February 17, 2025
Testing a Heterogeneous Polarizable Continuum Model against Exact Poisson Boundary Conditions
Paige E Bowling, Montgomery Gray, Suranjan K Paul, et al.
ACS Catalysis
|
May 28, 2020
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, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
March 15, 2022
Comprehensive Basis-Set Testing of Extended Symmetry-Adapted Perturbation Theory and Assessment of Mixed-Basis Combinations to Reduce Cost
Montgomery Gray, John M Herbert
The Journal of Chemical Physics
|
July 23, 2021
Simplified tuning of long-range corrected density functionals for use in symmetry-adapted perturbation theory
Montgomery Gray, John M Herbert
The Journal of Chemical Physics
|
August 6, 2024
Assessing the domain-based local pair natural orbital (DLPNO) approximation for non-covalent interactions in sizable supramolecular complexes
Montgomery Gray, John M Herbert
Journal of the American Chemical Society
|
January 17, 2025
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
The Journal of Physical Chemistry. A
|
April 21, 2025
Revisiting the Half-and-Half Functional
Montgomery Gray, Aniket Mandal, John M Herbert
The Journal of Physical Chemistry. A
|
August 27, 2024
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
Journal of Chemical Theory and Computation
|
October 17, 2022
Systematic Evaluation of Counterpoise Correction in Density Functional Theory
Montgomery Gray, Paige E Bowling, John M Herbert
Journal of Chemical Theory and Computation
|
February 17, 2025
Testing a Heterogeneous Polarizable Continuum Model against Exact Poisson Boundary Conditions
Paige E Bowling, Montgomery Gray, Suranjan K Paul, et al.
ACS Catalysis
|
May 28, 2020
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, et al.
Page
of 1