Equilibrium Molecular Structures From Spectroscopy to Quantum Chemistry 1st Edition by Jean Demaison, James Boggs, Attila Császár 1439811326 9781439811320

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Product details:

ISBN 10: 1439811326 

ISBN 13: 9781439811320

Author: Jean Demaison, James E. Boggs, Attila G. Császár

Molecular structure is the most basic information about a substance, determining most of its properties. Determination of accurate structures is hampered in that every method applies its own definition of “structure” and thus results from different sources can yield significantly different results. Sophisticated protocols exist to account for these

Table of contents:

1 Quantum Theory of Equilibrium Molecular Structures

2 The Method of Least Squares

3 Semiexperimental Equilibrium Structures Computational Aspects

4 Spectroscopy of Polyatomic Molecules Determination of Rotational Constants

5 Determination of the Structural Parameters from the Inertial Moments

6 Determining Equilibrium Structures and Potential Energy Functions for Diatomic Molecules

7 Other Spectroscopic Sources of Molecular Properties Intermolecular Complexes as Examples

8 Structures Averaged over Nuclear Motions

Appendix A: Bibliographies of Equilibrium Structures

Appendix B: Sources for Fundamental Constants, Conversion Factors, and Atomic and Nuclear Masses

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Tags: Jean Demaison, James Boggs, Attila Császár, Structures