A chemist's guide to valence bond theory - download pdf or read online

By Sason S. Shaik

ISBN-10: 0470037350

ISBN-13: 9780470037355

ISBN-10: 0470192585

ISBN-13: 9780470192580

This reference on present VB thought and purposes provides a realistic method that may be utilized to quite a few chemical difficulties in a uniform demeanour. After explaining simple VB thought, it discusses VB functions to bonding difficulties, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, natural reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a advisor for acting VB calculations, workouts and solutions, and diverse solved difficulties, this is often the most effective reference for practitioners and upper-level scholars.

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Extra info for A chemist's guide to valence bond theory

Sample text

B. H. Chirgwin, C. A. Coulson, Proc. R. Soc. Ser. A (London) 2, 196 (1950). The Electronic Structure of Conjugated Systems. VI. 6. S. S. Shaik, in New Theoretical Concepts for Understanding Organic Reactions, J. Bertran and I. G. , NATO ASI Series, C267, Kluwer Academic Publishers, 1989, pp. 165–217. A Qualitative Valence Bond Model for Organic Reactions. 7. L. Song, Y. Mo, Q. Zhang, W. Wu, J. Comput. Chem. 26, 514 (2005). XMVB: A Program for Ab Initio Nonorthogonal Valence Bond Computations. 8.

Compact Valence Bond Functions with Breathing Orbitals: Application to the Bond Dissociation Energies of F2 and FH. 144. P. C. Hiberty, S. Humbel, P. Archirel, J. Phys. Chem. 98, 11697 (1994). Nature of the Differential Electron Correlation in Three-Electron Bond Dissociation. Efficiency of a Simple Two-Configuration Valence Bond Method with Breathing Orbitals. 145. P. C. Hiberty, in Modern Electronic Structure Theory and Applications in Organic Chemistry, E. R. , World Scientific, River Edge, NJ, 1997, pp.

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. 121. C. A. Coulson, I. Fischer, Philos. Mag. 40, 386 (1949). Notes on the Molecular Orbital Treatment of the Hydrogen Molecule.

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

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