To Be or Not to Be: Demystifying the 2nd‐Quantized Picture of Complex Electronic Configuration Patterns in Chemistry with Natural Poly‐Electron Population Analysis

Author:

Kyriakidou Katerina1,Karafiloglou Padeleimon1,Glendening Eric2,Weinhold Frank3ORCID

Affiliation:

1. Department of Chemistry Aristotle University, 54124 Thessaloniki Greece

2. Department of Chemistry and Physics Indiana State University Terre Haute Indiana, 47809

3. Theoretical Chemistry Institute and Department of Chemistry University of Wisconsin‐Madison Madison Wisconsin, 53706

Funder

National Science Foundation

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Cited by 7 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Extraction of local spin-coupled states by second quantized operators;The Journal of Chemical Physics;2022-07-07

2. A Bridge Between MO And VB: The VB Description Of Functional Groups Inside Molecules By Means Of Poly-Electron Population Analysis;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2022

3. Bridging MO and VB in Practice: A Computer Program for Poly-Electron Population Analysis;Reference Module in Chemistry, Molecular Sciences and Chemical Engineering;2022

4. The Path to Natural Bond Orbitals;Israel Journal of Chemistry;2021-06-17

5. An analysis of valence electronic structure from a viewpoint of resonance theory: Tautomerization of formamide and diazadiboretidine;Journal of Computational Chemistry;2021-06-10

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