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

By Sason S. Shaik

ISBN-10: 0470037350

ISBN-13: 9780470037355

ISBN-10: 0470192585

ISBN-13: 9780470192580

This reference on present VB conception and functions provides a pragmatic process that may be utilized to a number of chemical difficulties in a uniform demeanour. After explaining uncomplicated 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 appearing VB calculations, workouts and solutions, and various solved difficulties, this is often the leading reference for practitioners and upper-level scholars.

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L. Pauling, J. Am. Chem. Soc. 53, 1367 (1931). The Nature of the Chemical Bond. Application of Results Obtained from the Quantum Mechanics and from a Theory of Magnetic Susceptiblity to the Structure of Molecules. 24. L. Pauling, J. Am. Chem. Soc. 53, 3225 (1931). The Nature of the Chemical Bond. II. The One-Electron Bond and the Three-Electron Bond. 25. L. , 1960). 26. R. S. Mullliken, Phys. Rev. 32, 186 (1928). The Assignment of Quantum Numbers for Electrons in Molecules. I. 27. R. S. Mullliken, Phys.

15–17. 50. C. A. Coulson, Valence, Oxford University Press, London, 1952. 51. J. R. Platt, Science, 154, 745 (1966). Nobel Laureate in Chemistry: Robert S. Mulliken. 52. K. Fukui, T. Yonezawa, H. Shingu, J. Chem. Phys. 20, 722 (1952). A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons. 53. R. B. Woodward, R. Hoffmann, The Conservation of Orbital Symmetry, Verlag Chemie, Weinheim, 1971. 54. M. G. Evans, Trans. Faraday Soc. 35, 824 (1939). The Activation Energies in Reactions Involving Conjugated Systems.

9, 4540 (2003). An Accurate Barrier for the Hydrogen Exchange Reaction from Valence Bond Theory: Is this Theory Coming of Age? 155. S. Shaik, P. C. Hiberty, Rev. Comput. Chem. 20, 1 (2004). Valence Bond, Its History, Fundamentals and Applications: A Primer. 156. P. C. Hiberty, S. Shaik, J. Comput. Chem. 28, 137 (2007). A Survey of Some Recent Developments of Ab Initio Theory. 157. D. G. Truhlar, J. Comput. Chem. 28, 74 (2007). Valence Bond Theory for Chemical Dynamics. 2 A Brief Tour Through Some Valence Bond Outputs and Terminology Since VB theory has not been taught in a systematic way for a few decades, it is a good idea to get a feeling for the method first through the inspection of some VB outputs of modern VB calculations.

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


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