Computational and Experimental Chemistry: Developments and Applications, 1st Edition (Hardback) book cover

Computational and Experimental Chemistry

Developments and Applications, 1st Edition

Edited by Tanmoy Chakraborty, Michael J. Bucknum, Eduardo A. Castro

Apple Academic Press

355 pages | 98 B/W Illus.

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pub: 2013-09-24
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Description

This 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 the book covers a range of new research on computational quantum chemistry.

Table of Contents

Part I: Spiro Quantum Chemistry

Part II: Synthesis of Glitter

Part III: Classifying Carbon Allotropes & Hydrides

Part IV: Dynamic Elasticity of Carbon

Many-Body Perturbation Theory to Second Order Applied on Confined Helium-like Atoms

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

Application of Non-Thermal Plasma For Surface Modification of Polyester Textiles

Equalization "Principles" in Chemistry

Ring Opening Metathesis Polymerization Is a Versatile Technique for Making Polymeric Biomaterials

Triple Density Quantum Similarity Measures and the Tensorial Representation of Molecular Quantum Object Sets

Correlation of the Experimental and Theoretical Study for the Cyclisation Reaction of Mesoionic HeterocycleImidazo [1,5 a] Pyridines in Terms of the Density Functional Descriptors

Quantum Breathers and Phonon Bound State in the Ferroelectric System

Index

About the Editors

Tanmoy Chakraborty, Ph.D., is an assistant professor in the Department of Chemistry at Manipal University, Jaipur, India. He received 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 peer-reviewed international journals with high impact factors. Dr. Chakraborty is an 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).

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, 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.

Subject Categories

BISAC Subject Codes/Headings:
SCI000000
SCIENCE / General
SCI013040
SCIENCE / Chemistry / Organic
SCI013060
SCIENCE / Chemistry / Industrial & Technical
SCI057000
SCIENCE / Quantum Theory