In Silico Studies on Selected Neutral Molecules, CGa<sub>2</sub>Ge<sub>2</sub>, CAlGaGe<sub>2</sub>, and CSiGa<sub>2</sub>Ge Containing Planar Tetracoordinate Carbon

In Silico Studies on Selected Neutral Molecules, CGa<sub>2</sub>Ge<sub>2</sub>, CAlGaGe<sub>2</sub>, and CSiGa<sub>2</sub>Ge Containing Planar Tetracoordinate Carbon

Density functional theory (DFT) was used to study the structure, stability, and bonding in some selected neutral pentaatomic systems, <i>viz.</i>, CGa<sub>2</sub>Ge<sub>2</sub>, CAlGaGe<sub>2</sub>, and CSiGa<sub>2</sub>Ge containing planar...

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Bibliographic Details
Main Authors: Prasenjit Das, Pratim Kumar Chattaraj
Format: Article
Language:English
Published: MDPI AG 2021-09-01
Series:Atoms
Subjects:
planar tetracoordinate carbon
σ/π aromaticity
ab initio molecular dynamics simulations
neutral 18 valence electrons complexes
Wiberg bond index (WBI)
Online Access:https://www.mdpi.com/2218-2004/9/3/65

Internet

https://www.mdpi.com/2218-2004/9/3/65

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