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Quantum Chemistry Research Trends
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$238.50
Editors: Mikas P. Kaisas
Book Description:
Subject Scope: Theoretical chemistry, Atomic physics and molecular physics, Physical chemistry

Quantum chemistry is a branch of theoretical chemistry, which applies quantum mechanics and quantum field theory to address issues and problems in chemistry. The description of the electronic behavior of atoms and molecules as pertaining to their reactivity is one of the applications of quantum chemistry. Quantum chemistry lies on the border between chemistry and physics, and significant contributions have been made by scientists from both fields. It has a strong and active overlap with the field of atomic physics and molecular physics, as well as physical chemistry. This new book presents leading research in the field.

Table of Contents:
Preface

Expert Commentary
Commentary - Can Quantum-Mechanical Description of Chemical Bond be considered complete?
(Mihai V. Putz, Laboratory of Computational and Structural Physical Chemistry, Chemistry Dept., West Univ. of Timisoara, Romania)

Chapter 1 - Applying Localization: A tool for treating Intermolecular Interactions; pp. 9-55
(C. Kozmutza, Dept. of Theoretical Physics, Budapest Univ. of Technology and Economics, Budapest, Hungary, J.H. Van Lenthe, Theoretical Chemistry Group, Chemistry Dept., Univ. of Utrecht, L. Udvardi, Dept. of Theoretical Physics, Budapest Univ. of Technology and Economics, Budapest, Hungary)

Chapter 2 - Electronic Structure and Reactivity of Inorganic, Organic, Organoelement and Coordination Compounds: An Experience in the Area of Applied Quantum Chemistry; pp. 57-125
(Alexei N. Pankratov, Division of Analytical Chemistry and Chemical Ecology, Dept. of Chemistry, N.G. Chernyshevskii Saratov State Univ., Saratov, Russia)

Chapter 3 -A Novel Grid based approach to the Electronic Structure Problem: Interpolants and Derivatives; pp. 127-145
(James S. M. Anderson, Juan I. Rodriguez, David C. Thompson, Wyeth Research, Cambridge, MA)

Chapter 4 - A Novel Approach to Quantum Dot Structure Calculation; pp. 147-172
(J.B. Wang, R.D. Muhandiramge, School of Physics, The Univ. of Western Australia, Perth, Australia)

Chapter 5 - New Approach to Researches in Relativistic Quantum Chemistry using Hamilton-Jacobi Equation; pp. 173-204
(A. L.A. Fonseca, D.L. Nascimento, Institute of Physics, Univ. of Brasilia, Brasilia-DF, Brazil)

Chapter 6 - Molecular Dynamics Simulation of Chemical Processes in Solution using Potentials based on Solute-Solvent Interaction Energy Components: Application to Structural, Dielectric, and Energy Properties; pp. 205-224
(S. Tolosa Arroyo, J.A. Sanson Martin, A. Hidalgo Garcia, Dept. de Quimica Fisica, Facultad de Ciencias, Univ. de Extremadura)

Chapter 7 - Theoretical Study of the Interactions between 1,3-Butanediol and Hydrogen Peroxide; pp. 225-238
(Zheng-yu Zhou, Hai-tao Zhang, Yun Shi, Dept. of Chemistry, Qufu Normal Univ., Shandong, People's Republic of China, State Key Laboratory Crystal Materials Shandong Univ., Shandong, People's Republic of China)

Chapter 8 - A New Method for approximating the Coulomb Potential generated by the product of two 1s Slater Orbitals; pp. 239-251
(J.E. Perez, O.E. Taurian, J.C. Cesco, Dept. de Fisica, Univ. Nacional de Rio Cuarto, Rio Cuarto, Argentina, Instituto de Matematica Aplicada, Univ. Nacional de San Luis, San Luis, Argentina)

Index

   Binding: Hardcover
   Pub. Date: 2007
   ISBN: 1-60021-620-X
   Status: AV
  
Status Code Description
AN Announcing
FM Formatting
PP Page Proofs
FP Final Production
EP Editorial Production
PR At Prepress
AP At Press
AV Available
  
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Quantum Chemistry Research Trends