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

By Sason S. Shaik

This reference on present VB thought and functions offers a pragmatic approach that may be utilized to numerous chemical difficulties in a uniform demeanour. After explaining simple 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 can be the top-rated reference for practitioners and upper-level scholars.

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

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N. Rosen, Phys. Rev. 38, 2099 (1931). The Normal State of the Hydrogen Molecule. 20. S. Weinbaum, J. Chem. Phys. 1, 593 (1933). The Normal State of the Hydrogen Molecule. 21. J. C. Slater, Phys. Rev. 37, 481 (1931). Directed Valence in Polyatomic Molecules. 22. J. C. Slater, Phys. Rev. 41, 255 (1932). Note on Molecular Structure. 23. 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.

Wu, S. J. Zhong, S. Shaik, Chem. Phys. Lett. 292, 7 (1998). VBDFT(s): A Hu¨ckelType Semi-empirical Valence Bond Method Scaled to Density Functional Energies. Application to Linear Polyenes. 81. W. Wu, D. Danovich, A. Shurki, S. Shaik, J. Phys. Chem. A 104, 8744 (2000). Using Valence Bond Theory to Understand Electronic Excited States. Applications to the Hidden Excited State (21Ag) of C2nH2n+2 (n = 2–14) Polyenes. 82. W. Wu, Y. Luo, L. Song, S. Shaik, Phys. Chem. Chem. Phys. 3, 5459 (2001). VBDFT(s): A Semiempirical Valence Bond Method: Application to Linear Polyenes Containing Oxygen and Nitrogen Heteroatoms.

Valence Bond Concepts Applied to the Molecular Mechanics Description of Molecular Shapes. 4. Transition Metals with p-Bonds. 153. F. Weinhold, C. Landis, Valency and Bonding: A Natural Bond Orbital DonorAcceptor Perspective, Cambridge University Press, Cambridge, 2005. 154. L. Song, W. Wu, P. C. Hiberty, S. Shaik, Chem. Eur. J. 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.

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