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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Vydané v:	Chemistry : a European journal Ročník 24; číslo 38; s. 9639 - 9650
Hlavní autori:	Zhang, Jing‐Xuan, Sheong, Fu Kit, Lin, Zhenyang
Médium:	Journal Article
Jazyk:	English
Vydavateľské údaje:	Germany Wiley Subscription Services, Inc 05.07.2018
Predmet:	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
On-line prístup:	Získať plný text
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