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Theoretical and Computational Research in the 21st Century (Hardcover) Loot Price: R3,724
Discovery Miles 37 240
Theoretical and Computational Research in the 21st Century (Hardcover): Nazmul Islam

Theoretical and Computational Research in the 21st Century (Hardcover)

Nazmul Islam

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Loot Price R3,724 Discovery Miles 37 240 | Repayment Terms: R349 pm x 12*

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This book focuses mainly on the recent developments of all types of theoretical, mathematical, and computational conceptions, as well as modelling and simulation of specific research themes covering all scientific and technical disciplines from chemistry, physics, and engineering to biology and medicine. The book contains timely reviews and research covering fundamental and applied research aspects in all disciplines of natural sciences, including their historical representations and philosophical perspectives.

The book discusses the fact that the largest and smallest values of the fukui function and local softness do not necessarily correspond to the softness and hardness regions of the molecules such as porphyrins. The authors have adopted two popular calculation procedures for this venture. One is the very old Huckel molecular orbital calculation, and the other is one of best semi-empirical AM-1 procedures for such systems. Our finding is that neither the fukui functions nor the local softnesses can predict the preferred donor sites of porphyrins toward metal ions. "

General

Imprint: Apple Academic Press Inc.
Country of origin: Canada
Release date: October 2014
First published: 2014
Editors: Nazmul Islam
Dimensions: 229 x 152 x 21mm (L x W x T)
Format: Hardcover
Pages: 282
ISBN-13: 978-1-77188-033-6
Categories: Books > Computing & IT > General theory of computing > General
Books > Computing & IT > Applications of computing > General
Books > Science & Mathematics > Mathematics > Applied mathematics > General
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LSN: 1-77188-033-3
Barcode: 9781771880336

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