Equilibrium Molecular Structures : From Spectroscopy to Quantum Chemistry

ISBN-13: 9781439811320 / Angielski / Twarda / 2010 / 302 str.

Jean Demaison; James E. Boggs; Attila G. Csaszair

Opis

Written following a new paradigm, this textbook takes advantage of the insight of world experts who have contributed chapters and relies upon its editors to seamlessly integrate the information into a unified presentation. It covers experimental and computational techniques and compares different methods. The book goes on to describe their interplay and the advantages of their combined use. It is not merely a review of the modern literature, but a true textbook that can be used by advanced students.

Recenzje

"... well written by practicing experts in the field ... excellent lists of references to well-known introductory texts and current, advanced journal articles ... Recommended."
—  M. Coplan, Institute for Physical Science and Technology in CHOICE Magazine, December 2011

"The book contains many references, examples, and exercises and includes a CD with additional examples which make the book ideal for class instruction as well as for reader self-instruction. The book will be useful for newcomers to the field and also for experienced spectroscopists who want to expand their area of knowledge."
—Dr. James G. Speight in Petroleum and Science Technology, June 2011

Spis treści

Quantum Theory of Equilibrium Molecular Structures. The Method of Least Squares.Semiexperimental Equilibrium Structures: Computational Aspects. Spectroscopy of Polyatomic Molecules: Determination of the Rotational Constants. Determination of the Structural Parameters from the Inertial Moments. Determining Equilibrium Structures and Potential Energy Functions for Diatomic Molecules. Other Spectroscopic Sources of Molecular Properties: Intermolecular Complexes as Examples. Structures Averaged over Nuclear Motions. Appendix A: Bibliographies of Equilibrium Structures. Appendix B: Sources for Fundamental Constants, Conversion Factors, and Atomic and Nuclear Masses. Index.

O autorze

Jean Demaison is a former Research Director at CNRS, University of Lille I. The research for his PhD, which he received in 1972, was performed in Freiburg and Nancy in the field of microwave spectroscopy. He was invited to be a Professor at the Universities of Ulm, Louvain-La-Neuve, and Brussels. In 2008, he received the International Barbara Mez-Starck prize for outstanding contribution in the field of structural chemistry. He has published over 300 papers in research journals and contributed to 17 books. Professor Attila G. Császár is the head of the Laboratory of Molecular Spectroscopy at Eötvös University of Budapest, Hungary. He received his PhD in 1985 in theoretical chemistry at the same place. His research interests include computational molecular spectroscopy, structure determinations of small molecules, ab initio thermochemistry, and electronic structure theory. He has published more than 150 papers in these fields, mostly in leading international journals. James E. Boggs is Professor Emeritus at the University of Texas at Austin. His PhD was received from the University of Michigan after working on the Manhattan District Project. He has spent sabbaticals at Harvard, Berkeley, and the University of Oslo. Dr. Boggs has published over 325 papers, mostly on microwave spectroscopy and applications of quantum theory. He organized the first 23 biennial meetings of the Austin Symposium on Molecular Structure. In 2010, he received the International Barbara Mez-Starck prize for outstanding contributions in structural chemistry. He has been chosen as a Fellow of the American Chemical Society.