9786138243014

DFT study of dinuclear metal complexes of Oxadiazoles

Ndula Frankline Keming, Nyiang Kennet Nkungli
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ISBN- 1 3:

978-613-8-24301-4

ISBN- 1 0:
6138243013
EAN:
9786138243014
Idioma do livro:
Inglês
Anotações e citações/ texto breve:
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.
Editora:
GlobeEdit
Website:
https://www.globeedit.com
Por (autor):
Ndula Frankline Keming, Nyiang Kennet Nkungli
Número de páginas:
100
Publicado em:
2018-08-06
Stock:
Disponível
Categoria:
Química teórica
Preço:
49.9 €
Palavras chave:
Density functional theory, Dinuclear metal complexes, Oxadiazoles, Thermochemical properties, electronic properties, Vibrational properties, Geometrical properties, Energetic properties

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