Maximilian van Zyl - Publications, H-index & Citations

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Maximilian van Zyl

queen's university

4H-index

6Paper Count

50Citation Count

Published Papers 5

Publication Date

Permanent electrostatic moments through the lens of atoms: assessing variational Hirshfeld methods

rsc adv.

IF0

2026-04-17

OAAI

Maximilian van Zyl; Carlos Castillo-Orellana; Leila Pujal; Farnaz Heidar-Zadeh

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AtomDB: A Python Library and Database for Atomic and Promolecular Properties

JOURNAL OF PHYSICAL CHEMISTRY A

IF2.8

2025-02-28

PREAI

Diaz, Gabriela Sanchez; Richer, Michelle; Gonzalez, Marco Martinez; van Zyl, Maximilian; Pujal, Leila; Tehrani, Alireza; Bianchi, Julianna; Chuiko, Valerii; Erhard, Jannis; Meng, Fanwang; Ayers, Paul W.

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Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-11-08

PREAI

Heidar-Zadeh, Farnaz; Castillo-Orellana, Carlos; van Zyl, Maximilian; Pujal, Leila; Verstraelen, Toon; Bultinck, Patrick; Vohringer-Martinez, Esteban; Ayers, Paul W.

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GBasis : A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2024-07-30

PREAI

Kim, Taewon David; Pujal, Leila; Richer, Michelle; van Zyl, Maximilian; Martinez-Gonzalez, Marco; Tehrani, Alireza; Chuiko, Valerii; Sanchez-Diaz, Gabriela; Sanchez, Wesley; Adams, William; Huang, Xiaomin; Kelly, Braden D.; Vohringer-Martinez, Esteban; Verstraelen, Toon; Heidar-Zadeh, Farnaz; Ayers, Paul W.

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Constrained iterative Hirshfeld charges: A variational approach

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2022-05-19

OAAI

Pujal, Leila; Van Zyl, Maximilian; Voehringer-Martinez, Esteban; Verstraelen, Toon; Bultinck, Patrick; Ayers, Paul W.; Heidar-Zadeh, Farnaz

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Research Directions