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Jonathan M Waldrop

Showing results (1-10 of 11) with videos related to

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The Journal of Chemical Physics|February 24, 2019
Spin splittings from first-order symmetry-adapted perturbation theory without single-exchange approximationJonathan M Waldrop, Konrad Patkowski
Journal of Computational Chemistry|July 11, 2020
Interactions of CO<sub>2</sub> with cluster models of metal-organic frameworksJonathan M Waldrop, Konrad Patkowski
The Journal of Chemical Physics|January 15, 2021
Nonapproximated third-order exchange induction energy in symmetry-adapted perturbation theoryJonathan M Waldrop, Konrad Patkowski
The Journal of Physical Chemistry. A|July 14, 2021
Projector-Based Quantum Embedding for Molecular Systems: An Investigation of Three Partitioning ApproachesJonathan M Waldrop, Theresa L Windus, Niranjan Govind
The Journal of Chemical Physics|June 1, 2015
Accurate ab initio potential for the krypton dimer and transport properties of the low-density krypton gasJonathan M Waldrop, Bo Song, Konrad Patkowski, et al.
The Journal of Chemical Physics|January 15, 2018
Accurate virial coefficients of gaseous krypton from state-of-the-art ab initio potential and polarizability of the krypton dimerBo Song, Jonathan M Waldrop, Xiaopo Wang, et al.
Journal of Computational Chemistry|January 31, 2025
Projector-Based Quantum Embedding Study of Iron ComplexesJonathan M Waldrop, Ajay Panyala, Daniel Mejia-Rodriguez, et al.
The Journal of Physical Chemistry. A|August 15, 2025
Chemist: A Domain-Specific Language by Chemists for ChemistsJonathan M Waldrop, Wibe de Jong, Edward F Valeev, et al.
Chemical Reviews|March 31, 2021
From NWChem to NWChemEx: Evolving with the Computational Chemistry LandscapeKarol Kowalski, Raymond Bair, Nicholas P Bauman, et al.
Journal of Chemical Theory and Computation|May 18, 2018
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid DevelopmentDaniel G A Smith, Lori A Burns, Dominic A Sirianni, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|February 24, 2019
Spin splittings from first-order symmetry-adapted perturbation theory without single-exchange approximationJonathan M Waldrop, Konrad Patkowski
Journal of Computational Chemistry|July 11, 2020
Interactions of CO<sub>2</sub> with cluster models of metal-organic frameworksJonathan M Waldrop, Konrad Patkowski
The Journal of Chemical Physics|January 15, 2021
Nonapproximated third-order exchange induction energy in symmetry-adapted perturbation theoryJonathan M Waldrop, Konrad Patkowski
The Journal of Physical Chemistry. A|July 14, 2021
Projector-Based Quantum Embedding for Molecular Systems: An Investigation of Three Partitioning ApproachesJonathan M Waldrop, Theresa L Windus, Niranjan Govind
The Journal of Chemical Physics|June 1, 2015
Accurate ab initio potential for the krypton dimer and transport properties of the low-density krypton gasJonathan M Waldrop, Bo Song, Konrad Patkowski, et al.
The Journal of Chemical Physics|January 15, 2018
Accurate virial coefficients of gaseous krypton from state-of-the-art ab initio potential and polarizability of the krypton dimerBo Song, Jonathan M Waldrop, Xiaopo Wang, et al.
Journal of Computational Chemistry|January 31, 2025
Projector-Based Quantum Embedding Study of Iron ComplexesJonathan M Waldrop, Ajay Panyala, Daniel Mejia-Rodriguez, et al.
The Journal of Physical Chemistry. A|August 15, 2025
Chemist: A Domain-Specific Language by Chemists for ChemistsJonathan M Waldrop, Wibe de Jong, Edward F Valeev, et al.
Chemical Reviews|March 31, 2021
From NWChem to NWChemEx: Evolving with the Computational Chemistry LandscapeKarol Kowalski, Raymond Bair, Nicholas P Bauman, et al.
Journal of Chemical Theory and Computation|May 18, 2018
Psi4NumPy: An Interactive Quantum Chemistry Programming Environment for Reference Implementations and Rapid DevelopmentDaniel G A Smith, Lori A Burns, Dominic A Sirianni, et al.
Pageof 2