A Quantum Chemical Study of Silicon-Substituent Bonds in Three-Coordinated Silicon Compounds

Spatial and electronic structures of three-coordinated silicon molecules are calculated within MP2/6-311G(2 d , p ) and HF/6-311++G(3 df ,3 pd ) methods using the PC GAMESS-Firefly software package. AIM and NBO methods are used to determine main characteristics of silicon-substituent bonds in these...

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Veröffentlicht in:	Journal of structural chemistry 2019-11, Vol.60 (11), p.1703-1712
1. Verfasser:	Alekseev, N. V.
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic Atomic/Molecular Structure and Spectra Chemical bonds Chemistry Chemistry and Materials Science Covalent bonds Fireflies Inorganic Chemistry Molecular Optical and Plasma Physics Organic chemistry Physical Chemistry Quantum chemistry Silicon Silicon compounds Solid State Physics
Online-Zugang:	Volltext
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