Computer Science & Information Management

Theoretical and Computational Research in the 21st Century
Editor: Nazmul Islam, PhD

Theoretical and Computational Research in the 21st Century

Published. Available now.
Pub Date: October 2014
Hardback Price: see ordering info
Hard ISBN: 9781771880336
Paperback ISBN: 978-1-77463-348-9
E-Book ISBN: 9781482252743
Pages: 282 pp with index
Binding Type: hardbound / ebook / paperback

Now Available in Paperback


This valuable 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 prospectives.

This book deals with recent development of fundamental sciences that certainly have a wide reader community and covers a vast scientific area (all types of theoretical, mathematical and computational conceptions, modelling and simulation of specific research themes covering all scientific and technical disciplines from chemistry, physics, engineering to biology and medicine).

The book discusses the fact that the largest and smallest value 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 very popular calculation procedures for this venture. One is the very old Hückel molecular orbital calculation, and another is the one of best semi-empirical AM-1 procedure 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.

CONTENTS:
Preface
Chapter 1: The Time Evolution of the Hard and Soft Acids and Bases (HSAB) Theory
Nazmul Islam and Dulal C. Ghosh

Chapter 2: Magneto Hydrodynamic Effects on an Atherosclerotic Artery: A Theoretical Study

Ratan Kumar Bose

Chapter 3: A Fast Solver for the Backward Heat Conduction Problem in Unbounded Domains

Rafael G. Campos and Adolfo Huet

Chapter 4: Steganographic Method for Color Images Using Variance Field Estimation and Scaling Factor for Energy Conservation

Blanca E. Carvajal-Gámez, Francisco J. Gallegos-Funes, and J. L. Lopez-Bonilla

Chapter 5: Overview of Quantum Computation

Hernando Efrain Caicedo-Ortiz and Elizabeth Santiago-Cortes

Chapter 6: Classical Charged Particles in Arbitrary Motion

J. H. Caltenco, J. López-Bonilla, R. López-Vázquez, and Laurian Ioan Piscoran

Chapter 7: Second Order Linear Differential Equation in Its Exact Form

A.Hernández-Galeana, J. M. Rivera-Rebolledo, and J. López-Bonilla

Chapter 8: On the Operator Exp( 2 ? (P + Q))

J. Morales, G. Ovando, R. Cruz-Santiago, and J. López-Bonilla

Chapter 9: Quantum Computational Studies on Porphycene

Nazmul Islam

Chapter 10: The Evaluation of Protonation Energy of Molecules in Terms of Quantum Theoretical Descriptors

Sandip Kumar Rajak and Dulal Chandra Ghosh

Chapter 11: Analysis of Casson Fluid Model for Blood Flow in Externally Applied Magnetic Field

Ratan Kumar Bose

Index


About the Authors / Editors:
Editor: Nazmul Islam, PhD
Professor, Department of Basic Sciences & Humanities, Techno Global-Balurghat, Balurghat, D. Dinajpur, India

Nazmul Islam, PhD, is a Professor at the Department of Basic Sciences & Humanities at Techno Global-Balurghat in Balurghat, D. Dinajpur, India. He is editor-in-chief of The SciTech, Journal of Science & Technology and Signpost Open Access Journal of Theoretical Sciences. He is also an editorial board member and review for many international journals. He is a “Top 100 Scientists 2012”by International Biographical Centre, Cambridge, England, along with other notable designations. He is the author of several books and book chapters and teaches courses in chemistry, computer and computer applications, and engineering chemistry.




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