Chemistry

Computational and Experimental Chemistry
Developments and Applications

Editors: Tanmoy Chakraborty, PhD
Michael J. Bucknum, PhD
Eduardo A. Castro, PhD

Computational and Experimental Chemistry

Published. Available now.
Pub Date: September 2013
Hardback Price: $159.95 US
Hard ISBN: 9781926895291
Pages: 356pp
Binding Type: hardbound

This new book covers a range of new research on computational quantum chemistry along with a special section devoted to exotic carbon allotropes and spiro quantum theory.

The section on spiro quantum theory covers the technical presentation of the ideas surrounding the emergence of a synthetic, analytical, and theoretical spiro quantum chemistry edifice, as well as a chemical topology scheme that successfully describes molecules and patterns, including the hydrocarbons and allotropes of carbon.

The second part of this book covers a range of new research on computational quantum chemistry.

The book is provided for quantum chemists, synthetic organic chemists, crystallographers, and mathematical chemists as well as for scientific research centers and libraries.

CONTENTS:
List of Contributors
List of Abbreviations
List of Symbols

Preface
Tanmoy Chakraborty, PhD, Michael J. Bucknum, PhD, and Eduardo A. Castro, PhD

Part 1: Exotic Carbon Allotropes
Chapter 1: Spiro Quantum Chemistry
Michael J. Bucknum and Eduardo A. Castro

Chapter 2: Synthesis of Glitter
Michael J. Bucknum and Eduardo A. Castro

Chapter 3: Classification of Carbon Allotropes and Graphs
Michael J. Bucknum and Eduardo A. Castro

Chapter 4; Dynamic Elasticity of Carbon
Michael J. Bucknum and Eduardo A. Castro

Part 2: New Research on Computational Quantum Chemistry
Chapter 5: Many-Body Perturbation Theory to Second Order Applied on Confined Helium-Like Atoms
Jorge Garza, Javier Carmona-Espíndola, Isaías Alcalde-Segundo, and Rubicelia Vargas

Chapter 6: Distance Dependence of Magnetic Field Effect Inside the Confined Heterogeneous Environment: A Case Study with Acridine and N, N-Dimethyl Aniline Inside Aot Reverse Micelles
Manas Kumar Sarangi and Samita Basu

Chapter 7: Application of Non-Thermal Plasma for Surface Modification of Polyester Textiles
H. Dave, L.Ledwani, and S. K. Nema

Chapter 8: Equalization “Principles” in Chemistry
A. Chakraborty, R. Das, and P. K. Chattaraj

Chapter 9: Ring Opening Metathesis Polymerization Is a Versatile Technique for Making Polymeric Biomaterials
Vijayakameswara Rao N., S. R. Mane, and R. Shunmugam

Chapter 10: Correlation of the Experimental and Theoretical Study for the CyclisationReaction of MesoionicHeterocycleImidazo[1,5 a]pyridines in Terms of the Density Functional Descriptors
S.Roy, S.Dhail, S.Naskarand, and T.Chakraborty

Chapter 11: Quantum Breathers and Phonon Bound State in the Ferroelectric System
A. K. Bandyopadhyay, S. Das, and A. Biswas

Chapter 12: Triple Density Quantum Similarity Measures and the Tensorial Representation of Molecular Quantum Object Sets
Ramon Carbó-Dorca

References

Index


About the Authors / Editors:
Editors: Tanmoy Chakraborty, PhD
Associate Professor, Department of Chemistry, Manipal University Jaipur, India

Dr. Tanmoy Chakraborty is now working as an Associate Professor in the Department of Chemistry at Manipal University Jaipur, India. He is working in the challenging field of computational and theoretical chemistry from the last six years. He has completed his PhD from the University of Kalyani, West-Bengal, India, in the field of application of QSAR/QSPR methodology in the bioactive molecules. He has published many international research papers in the peer-reviewed international journals with high impact factors. Dr. Chakraborty is serving as international editorial board member of the International Journal of Chemoinformatics and Chemical Engineering. He is also reviewer of the World Journal of Condensed Matter Physics (WJCMP). Dr. Tanmoy Chakraborty is the recipient of prestigious Paromeswar Mallik Smawarak Padak , from Hooghly Mohsin College, Chinsurah (University of Burdwan), in 2002.

Michael J. Bucknum, PhD
Corresponding Investigator, Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), San Diego, California, USA

Michael J. Bucknum, PhD, received his degree in crystallography from Cornell University in Ithaca, New York. He currently resides in San Diego, California, and holds an academic appointment as corresponding investigator with Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET) based in Argentina. Michael has also been appointed to the Editorial Advisory Board of Chemistry Central, the open-access chemistry publisher based in the United Kingdom.

Eduardo A. Castro, PhD
Professor, Universidad Nacional de La Plata, Buenos Aires, Argentina; Consejo Nacional de Investigaciones Cientificas y Tecnicas, Buenos Aires, Argentina

Eduardo A. Castro, PhD, is full professor in theoretical chemistry at the Universidad Nacional de La Plata and a career investigator with the Consejo Nacional de Investigaciones Cientificas y Tecnicas, both based in Buenos Aires, Argentina. He is the author of nearly 1000 academic papers in theoretical chemistry and other topics, and he has published several books. He serves on the editorial advisory boards of several chemistry journals and is often an invited speaker at international conferences in South America and elsewhere.




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