Practical Aspects of Computational Chemistry - Methods, Concepts and Applications (Paperback, 2010 ed.)

"Practical Aspects of Computational Chemistry" presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the REACH programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.

General

Imprint:	Springer
Country of origin:	Netherlands
Release date:	November 2014
First published:	2010
Editors:	Jerzy Leszczynski • Manoj Shukla
Dimensions:	235 x 155 x 25mm (L x W x T)
Format:	Paperback
Pages:	465
Edition:	2010 ed.
ISBN-13:	978-9400786486
Categories:	Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
LSN:	9400786484
Barcode:	9789400786486

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