By Sason S. Shaik

This reference on present VB thought and purposes provides a realistic procedure that may be utilized to various chemical difficulties in a uniform demeanour. After explaining uncomplicated VB idea, 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 advisor for appearing VB calculations, routines and solutions, and diverse solved difficulties, this is often the most excellent reference for practitioners and upper-level scholars.

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Extra resources for A Chemist's Guide to Valence Bond Theory

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The Quantum-Mechanical Calculation of the Resonance Energy of Benzene and Naphthalene and the Hydrocarbon Free Radicals. REFERENCES 19 38. G. W. , New York, 1955, pp. 4, 39, 148. 39. J. H. van Vleck, A. Sherman, Rev. Mod. Phys. 7, 167 (1935). The Quantum Theory of Valence. 40. P. Laszlo, R. Hoffmann, Angew. Chem. Int. Ed. Engl. 39, 123 (2000). Ferrocene: Ironclad History or Rashomon Tale? 41. J. D. Roberts, Acc. Chem. Res. 37, 417 (2004). The Conversation Continues I. 42. A. Streitwieser, Acc. Chem.

26, 514 (2005). XMVB: A Program for Ab Initio Nonorthogonal Valence Bond Computations. 8. S. Shaik, D. Danovich, B. Silvi, D. Lauvergnat, P. C. Hiberty, Chem. Eur. J. 11, 6358 (2005). Charge-Shift Bonding: A Class of Electron-Pair Bonds that Emerges from Valence Bond Theory and Is Supported by the Electron Localization Function Approach. 1 VB Wave Functions with Localized Atomic Orbitals After looking at the VB outputs for the simple two-center/two-electron (2e/2c) bond, let us get used to the theory by applying it to these bonds to start with.

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. Malrieu, D. Maynau, J. Am. Chem. Soc. 104, 3021 (1982). A Valence Bond Effective Hamiltonian for Neutral States of p-Systems. 1. Methods. 75. Y. Jiang, S. Li, in Valence Bond Theory, D. L. , Elsevier, Amsterdam, The Netherlands, 2002, pp.

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