Hardcover(2nd ed. 2017)

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Product Details

ISBN-13: 9783319272818
Publisher: Springer International Publishing
Publication date: 02/03/2017
Edition description: 2nd ed. 2017
Pages: 2381
Product dimensions: 6.10(w) x 9.25(h) x (d)

About the Author

Jerzy Leszczynski - Professor of Chemistry and President’s Distinguished Fellow at the Jackson State University (JSU) joined the faculty of the JSU Department of Chemistry in 1990. Dr. Leszczynski attended the Technical University of Wroclaw (TUW) in Wroclaw, Poland obtaining his M.S (1972) and Ph.D. (1975) degrees. During the period 1976
–1986 he served as a faculty member at the TUW. In 1986 he moved to USA, initially as a visiting scientist at the University of Florida, Quantum Theory Project (1986-88) and as a research associate at the University of Alabama at Birmingham (1988-1990). During the period 1998 – 2008 Dr. Leszczynski had served as the director for the Computational Center for Molecular Structure and Interactions (NSF-CREST Center). Since October 2008 he directs new Interdisciplinary Nanotoxicity CREST Center at JSU. Dr. Leszczynski is a computational quantum chemist whose vast areas of interest include: nature of chemical bonds, theoretical predictions of molecular potential energy surfaces and vibrational spectra, structures and properties of molecules with heavy elements, properties and structure of DNA fragments, and characteristics of nanomaterials. He also applies computational chemistry methods to environmental problems, surface chemistry and atmospheric chemistry. Two areas of his research contributions are the most noticeable: investigations of DNA fragments and development of novel techniques for investigation of properties and toxicity of nanomaterials.

Date of Birth:


Table of Contents

From Quantum Theory to Computational Chemistry.- Exceptional status of chemistry.- The Position of the Clamped Nuclei Electronic Hamiltonian in Quantum Mechanics.- Remarks on Wave Function Theory and Methods.- Directions for Use of Density Functional Theory – A Short Instruction Manual for Chemists.- Introduction to Response Theory.- Intermolecular Interactions.- Molecular Structure and Vibrational Spectra.- Molecular electric, magnetic and optical properties.- Functional Nanostructures and Nanocomposites – Numerical Modelling Approach and Experiment.- Quantum Cluster Theories for Solvation.- Introduction: Quantum Cluster Theory and Solvation.- Spin-Orbit Coupling in Enzymatic Reactions and the Role of Spin in Biochemistry.- Numerical representation of chemical structures.- Molecular descriptors.

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