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The Journal of Chemical Physics
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January 17, 2025
pyVPT2: Interoperable software for anharmonic vibrational frequency calculations
Philip 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 imidazole
Philip M Nelson, C David Sherrill
The Journal of Chemical Physics
|
September 1, 2023
Approximating large-basis coupled-cluster theory vibrational frequencies using focal-point approximations
Philip M Nelson, Zachary L Glick, C David Sherrill
The Journal of Chemical Physics
|
June 25, 2024
Broadening access to small-molecule parameterization with the force field toolkit
Yunlin Zeng, Anna Pavlova, Philip M Nelson, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
January 17, 2025
pyVPT2: Interoperable software for anharmonic vibrational frequency calculations
Philip 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 imidazole
Philip M Nelson, C David Sherrill
The Journal of Chemical Physics
|
September 1, 2023
Approximating large-basis coupled-cluster theory vibrational frequencies using focal-point approximations
Philip M Nelson, Zachary L Glick, C David Sherrill
The Journal of Chemical Physics
|
June 25, 2024
Broadening access to small-molecule parameterization with the force field toolkit
Yunlin Zeng, Anna Pavlova, Philip M Nelson, et al.
Page
of 1