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The Journal of Chemical Physics|September 1, 2023
Approximating large-basis coupled-cluster theory vibrational frequencies using focal-point approximationsPhilip M Nelson, Zachary L Glick, C David Sherrill
The Journal of Chemical Physics|March 8, 2023
Assessment of three-body dispersion models against coupled-cluster benchmarks for crystalline benzene, carbon dioxide, and triazineYi Xie, Zachary L Glick, C David Sherrill
The Journal of Chemical Physics|January 17, 2025
pyVPT2: Interoperable software for anharmonic vibrational frequency calculationsPhilip M Nelson, C David Sherrill
The Journal of Chemical Physics|December 3, 2024
Convergence of the many-body expansion with respect to distance cutoffs in crystals of polar molecules: Acetic acid, formamide, and imidazolePhilip M Nelson, C David Sherrill
The Journal of Chemical Physics|July 9, 2021
Cartesian message passing neural networks for directional properties: Fast and transferable atomic multipolesZachary L Glick, Alexios Koutsoukas, Daniel L Cheney, et al.
The Journal of Chemical Physics|September 1, 2022
Range-dependence of two-body intermolecular interactions and their energy components in molecular crystalsDerek P Metcalf, Andrew Smith, Zachary L Glick, et al.
The Journal of Chemical Physics|June 23, 2023
A quantitative assessment of deformation energy in intermolecular interactions: How important is it?Caroline T Sargent, Raina Kasera, Zachary L Glick, et al.
The Journal of Chemical Physics|August 2, 2024
A modular, composite framework for the utilization of reduced-scaling Coulomb and exchange construction algorithms: Design and implementationDavid Poole, David B Williams-Young, Andy Jiang, et al.
The Journal of Chemical Physics|June 25, 2024
Broadening access to small-molecule parameterization with the force field toolkitYunlin Zeng, Anna Pavlova, Philip M Nelson, et al.
Scientific Data|September 12, 2023
A quantum chemical interaction energy dataset for accurately modeling protein-ligand interactionsSteven A Spronk, Zachary L Glick, Derek P Metcalf, et al.
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