9786138243014

DFT study of dinuclear metal complexes of Oxadiazoles

Ndula Frankline Keming, Nyiang Kennet Nkungli
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ISBN-13:

978-613-8-24301-4

ISBN-10:
6138243013
EAN:
9786138243014
书籍语言:
英文
作品简介:
The purpose of this short book is to apply Density Functional Theory (DFT) to study the effects of different central metal atoms (Copper, Cadmium and Zinc) on some properties of complexes. The huge and cumbersome ligand used in this book is 2, 2’-(1, 3, 4-oxadiazole-2, 5-diyl) diphenol. In this book, DFT is used to study some important properties of the metal complexes such as Geometrical, Energetic, Thermochemical, Electronic and vibrational properties. Two sets of dinuclear metal complexes clearly studied in this book are HOMODINUCLEAR and HETERODINUCLEAR complexes.
出版社 :
GlobeEdit
网址:
https://www.globeedit.com
由(作者):
Ndula Frankline Keming, Nyiang Kennet Nkungli
页码 :
100
发表日期:
2018-08-06
现货:
备有现货
类别:
理论化学
价格:
49.90 €
关键词:
Density functional theory, Dinuclear metal complexes, Oxadiazoles, Thermochemical properties, electronic properties, Vibrational properties, Geometrical properties, Energetic properties

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