PyCRDFT: A Python package to evaluate chemical reactivity descriptors within conceptual DFT

Journal of Chemical Sciences 2026

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Authors: Oscar Xavier Guerrero-Gutiérrez, Ashley Acosta-García, Alberto Vela

DOI: 10.1007/s12039-026-02472-4

Cited by: 0

References: 41

Fields of Study & Subjects

Advanced Chemical Physics Studies Advanced Physical and Chemical Molecular Interactions Chemical Reaction Mechanisms

References 41