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To Be or Not to Be: Demystifying the 2nd-Quantized Picture of Complex Electronic Configuration Patterns in Chemistry with Natural Poly-Electron Population Analysis.
J Comput Chem. 2019 Jun 5;40(15):1509-1520. doi: 10.1002/jcc.25803. Epub 2019 Feb 27.
J Comput Chem. 2019.
PMID: 30811040
Study of Electron Delocalization in 1,2-, 1,3-, and 1,4-Azaborines Based on the Canonical Molecular Orbital Contributions to the Induced Magnetic Field and Polyelectron Population Analysis.
Papadopoulos AG, Charistos ND, Kyriakidou K, Sigalas MP.
Papadopoulos AG, et al. Among authors: kyriakidou k.
J Phys Chem A. 2015 Oct 1;119(39):10091-100. doi: 10.1021/acs.jpca.5b06027. Epub 2015 Sep 17.
J Phys Chem A. 2015.
PMID: 26348255
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