Quantum Topological Atomic Properties of 44K molecules-Reference-Cited by-同舟云学术

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Quantum Topological Atomic Properties of 44K molecules

Published:2024-08-29 Issue:1 Volume:11 Page:
ISSN:2052-4463
Container-title:Scientific Data
language:en
Short-container-title:Sci Data

Author:

Meza-González Brandon,Ramírez-Palma David I.^ORCID,Carpio-Martínez Pablo,Vázquez-Cuevas David,Martínez-Mayorga Karina,Cortés-Guzmán Fernando

Funder

Consejo Nacional de Ciencia y Tecnología

National Autonomous University of Mexico | Dirección General de Asuntos del Personal Académico, Universidad Nacional Autónoma de México

Universidad Nacional Autónoma de México

Publisher

Springer Science and Business Media LLC

Link

https://www.nature.com/articles/s41597-024-03723-0.pdf

Reference34 articles.

1. Karelson, M., Lobanov, V. S. & Katritzky, A. R. Quantum-chemical descriptors in qsar/qspr studies. Chemical reviews 96, 1027–1044 (1996).

2. Huang, B. & Von Lilienfeld, O. A. Ab initio machine learning in chemical compound space. Chemical reviews 121, 10001–10036 (2021).

3. Bader, R. & Bader, R.Atoms in Molecules: A Quantum Theory. International series of monographs on chemistry, https://books.google.com.mx/books?id=up1pQgAACAAJ (Clarendon Press, 1990).

4. Bader, R. Quantum topology of molecular charge distributions. iii. the mechanics of an atom in a molecule. The Journal of Chemical Physics 73, 2871–2883 (1980).

5. Hernández-Trujillo, J. & Bader, R. F. Properties of atoms in molecules: atoms forming molecules. The Journal of Physical Chemistry A 104, 1779–1794 (2000).

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