A chemist's guide to valence bond theory by Sason S. Shaik

By Sason S. Shaik

This reference on present VB conception and purposes offers a realistic method that may be utilized to a number of chemical difficulties in a uniform demeanour. After explaining simple VB thought, it discusses VB purposes to bonding difficulties, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, natural reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a consultant for acting VB calculations, routines and solutions, and various solved difficulties, this can be the greatest reference for practitioners and upper-level scholars.

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W. J. Hunt, P. J. Hay, Acc. Chem. Res. 6, 368 (1973). Generalized Valence Bond Description of Bonding in Low-Lying States of Molecules. 118. W. A. Goddard, III, Phys. Rev. 157, 81 (1967). Improved Quantum Theory of Many-Electron Systems. II. The Basic Method. 119. W. A. Goddard, III, L. B. Harding, Annu. Rev. Phys. Chem. 29, 363 (1978). The Description of Chemical Bonding from Ab-Initio Calculations. 120. W. A. Goddard, III, Int. J. Quant. Chem. IIIS, 593 (1970). The Symmetric Group and the Spin Generalized SCF Method.

Chem. 40, 343 (2000). The SÀCÀO (OÀCÀS) EdwardLemieux Effect is Controlled by p-Orbital on Oxygen. Evidence from Electron Momentum Spectroscopy, Photoelectron Spectroscopy, X-Ray Crystallography, and Density Functional Theory. 59. P. Atkins, L. Jones, Chemical Principles. The Quest for Insight, W. H. , New York, 1999, pp. xxiii and 121–122. 20 A BRIEF STORY OF VALENCE BOND THEORY 60. L. Jones, P. Atkins, Chemistry: Molecules, Matter and Change, W. H. , New York, 2000, pp. 400–401. 61. S. S. Shaik, in New Theoretical Concepts for Understanding Organic Reactions, J.

In the section dedicated to VB methods, we mention the main program packages and methods, which we used, and outline their features, capabilities, and limitations. REFERENCES 17 This plethora of acronyms of the VB programs starts to resemble a similar development that had accompanied the ascent of MO theory. While this may sound like good news, recall the biblical admonition, ‘‘let us go down, and there confound their language that they may not understand one another’s speech’’ (Genesis 11, 7).

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