Download e-book for iPad: The Chemist's Guide to Valence Bond Theory by Sason S. Shaik

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 realistic process that may be utilized to a number of chemical difficulties in a uniform demeanour. After explaining easy 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, routines and solutions, and diverse solved difficulties, this can be the most efficient reference for practitioners and upper-level scholars.

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Download e-book for kindle: The Chemist's Guide to Valence Bond Theory by Sason S. Shaik

This reference on present VB concept and purposes offers a pragmatic method that may be utilized to various chemical difficulties in a uniform demeanour. After explaining easy 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.

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103. M. Olivucci, I. N. Ragazos, F. Bernardi, M. A. Robb, J. Am. Chem. Soc. 115, 3710 (1993). A Conical Intersection Mechanism for the Photochemistry of Butadiene. A MC-SCF Study. 104. M. Olivucci, F. Bernardi, P. Celani, I. Ragazos, M. A. Robb, J. Am. Chem. Soc. 116, 1077 (1994). Excited-State Cis–Trans Isomerization of cis-Hexatriene. A CAS–SCF Computational Study. 105. M. A. Robb, M. Garavelli, M. Olivucci, F. Bernardi, Rev. Comput. Chem. 15, 87 (2000). A Computational Strategy for Organic Photochemistry.

115, 3710 (1993). A Conical Intersection Mechanism for the Photochemistry of Butadiene. A MC-SCF Study. 104. M. Olivucci, F. Bernardi, P. Celani, I. Ragazos, M. A. Robb, J. Am. Chem. Soc. 116, 1077 (1994). Excited-State Cis–Trans Isomerization of cis-Hexatriene. A CAS–SCF Computational Study. 105. M. A. Robb, M. Garavelli, M. Olivucci, F. Bernardi, Rev. Comput. Chem. 15, 87 (2000). A Computational Strategy for Organic Photochemistry. 106. S. Shaik, A. C. Reddy, J. Chem. Soc. Faraday Trans. 90, 1631 (1994).

I. 27. R. S. Mullliken, Phys. Rev. 32, 761 (1928). The Assignment of Quantum Numbers for Electrons in Molecules. II. Correlation of Molecular and Atomic Electron States. 28. R. S. Mullliken, Phys. Rev. 33, 730 (1929). The Assignment of Quantum Numbers for Electrons in Molecules. III. Diatomic Hydrides. 29. R. S. Mullliken, Phys. Rev. 41, 49 (1932). Electronic Structures of Polyatomic Molecules and Valence. II. General Considerations. 30. F. Hund, Z. Phys. 73, 1 (1931). Zur Frage der Chemischen Bindung.

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


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