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Maximilian van Zyl

Showing results (1-10 of 5) with videos related to

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RSC Advances|January 26, 2026
Permanent electrostatic moments through the lens of atoms: assessing variational Hirshfeld methodsMaximilian van Zyl, Carlos Castillo-Orellana, Leila Pujal, et al.
The Journal of Chemical Physics|May 21, 2022
Constrained iterative Hirshfeld charges: A variational approachLeila Pujal, Maximilian van Zyl, Esteban Vöhringer-Martinez, et al.
Journal of Chemical Theory and Computation|November 8, 2024
Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning MethodFarnaz Heidar-Zadeh, Carlos Castillo-Orellana, Maximilian van Zyl, et al.
The Journal of Physical Chemistry. A|February 28, 2025
AtomDB: A Python Library and Database for Atomic and Promolecular PropertiesGabriela Sánchez Díaz, Michelle Richer, Marco Martínez González, et al.
The Journal of Chemical Physics|July 30, 2024
GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functionsTaewon David Kim, Leila Pujal, Michelle Richer, et al.
Pageof 1

Showing results (1-10 of 5) with videos related to

Sort By:
Pageof 1
RSC Advances|January 26, 2026
Permanent electrostatic moments through the lens of atoms: assessing variational Hirshfeld methodsMaximilian van Zyl, Carlos Castillo-Orellana, Leila Pujal, et al.
The Journal of Chemical Physics|May 21, 2022
Constrained iterative Hirshfeld charges: A variational approachLeila Pujal, Maximilian van Zyl, Esteban Vöhringer-Martinez, et al.
Journal of Chemical Theory and Computation|November 8, 2024
Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning MethodFarnaz Heidar-Zadeh, Carlos Castillo-Orellana, Maximilian van Zyl, et al.
The Journal of Physical Chemistry. A|February 28, 2025
AtomDB: A Python Library and Database for Atomic and Promolecular PropertiesGabriela Sánchez Díaz, Michelle Richer, Marco Martínez González, et al.
The Journal of Chemical Physics|July 30, 2024
GBasis: A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functionsTaewon David Kim, Leila Pujal, Michelle Richer, et al.
Pageof 1