Download The Chemist's Guide to Valence Bond Theory by Sason S. Shaik PDF

By Sason S. Shaik

This reference on present VB thought and functions provides a realistic procedure that may be utilized to a number of chemical difficulties in a uniform demeanour. After explaining easy VB concept, 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, routines and solutions, and various solved difficulties, this can be the most desirable reference for practitioners and upper-level scholars.

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J. Klein, in Valence Bond Theory, D. L. , Elsevier, Amsterdam, The Netherlands, 2002, pp. 447–502. Resonating Valence Bond Theories for Carbon p-Networks and Classical/Quantum Connections. 72. T. G. Schmalz, in Valence Bond Theory, D. L. , Elsevier, Amsterdam, The Netherlands, 2002, pp. 535–564. A Valence Bond View of Fullerenes. 73. J. P. Malrieu, in Models of Theoretical Bonding, Z. B. , Springer Verlag, New York, 1990, pp. 108–136. The Magnetic Description of Conjugated Hydrocarbons. 74. J. P.

A. Matsen, Adv. Quant. Chem. 1, 59 (1964). Spin-Free Quantum Chemistry. 133. F. A. Matsen, J. Phys. Chem. 68, 3282 (1964). Spin-Free Quantum Chemistry. II. Three-Electron Systems. 134. R. McWeeny, Int. J. Quant. Chem. XXXIV, 25 (1988). A Spin Free Form of Valence Bond Theory. 135. Z. Qianer, L. Xiangzhu, J. Mol. Struct. (THEOCHEM) 198, 413 (1989). Bonded Tableau Method for Many Electron Systems. 24 A BRIEF STORY OF VALENCE BOND THEORY 136. X. Li, Q. Zhang, Int. J. Quant. Chem. XXXVI, 599 (1989).

Wu, L. Song, Y. Mo, Q. Zhang, XIAMEN-99—An Ab Initio Spin-free Valence Bond Program, Xiamen University, Xiamen, 1999. (b) L. Song, Y. Mo, Q. Zhang, W. Wu, J. Comput. Chem. 26, 514 (2005). XMVB: A Program for Ab Initio Nonorthogonal Valence Bond Computations. 139. J. Li, R. McWeeny, VB2000: An Ab Initio Valence Bond Program Based on Generalized Product Function Method and the Algebrant Algorithm, 2000. 140. G. A. Gallup, R. L. Vance, J. R. Collins, J. M. Norbeck, Adv. Quant. Chem. 16, 229 (1982).

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