Unravelling Chemical Interactions with Principal Interacting Orbital Analysis

Decomposing chemical interactions into bonds and other higher order interactions is a common practice to analyse chemical structures, and gave birth to many chemical concepts, despite the fact that the decomposition itself might be subjective in nature. Fragment molecular orbitals (FMOs) offer a mor...

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Bibliographic Details
Published in:	Chemistry : a European journal Vol. 24; no. 38; pp. 9639 - 9650
Main Authors:	Zhang, Jing‐Xuan, Sheong, Fu Kit, Lin, Zhenyang
Format:	Journal Article
Language:	English
Published:	Germany Wiley Subscription Services, Inc 05.07.2018
Subjects:	bond theory Chemical bonds Chemical interactions Chemistry cluster compounds Computer applications Decomposition electronic structure Molecular chains Molecular orbitals orbital interaction Organic chemistry Principal components analysis reaction mechanisms Statistical analysis reaction mechanisms cluster compounds orbital interaction bond theory electronic structure
ISSN:	0947-6539, 1521-3765, 1521-3765
Online Access:	Get full text
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