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
Book language:
English
Blurb/Shorttext:
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.
Publishing house:
GlobeEdit
Website:
https://www.globeedit.com
By (author) :
Ndula Frankline Keming, Nyiang Kennet Nkungli
Number of pages:
100
Published at:
2018-08-06
Stock:
Available
Category:
Theoretical chemistry
Price:
49.90 €
Keywords:
Density functional theory, Dinuclear metal complexes, Oxadiazoles, Thermochemical properties, electronic properties, Vibrational properties, Geometrical properties, Energetic properties

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