A Chemist’s Guide to Valence Bond Theory by Sason Shaik (.PDF)
File Size: 12 MB
A Chemist’s Guide to Valence Bond Theory: Insights into Chemical Bonding, Reactivity, and Excited States, 2nd Edition by Sason Shaik, David Danovich, Philippe C. Hiberty
Requirements: .PDF reader, 12 mb | True PDF
Overview: Updated resource on theoretical aspects and applications of valence bond methods to chemical calculations
A Chemist’s Guide to Valence Bond Theory explains how to use valence bond theory to think concisely and rigorously and how to use VB computations. It familiarizes the reader with the various VB-based computational tools and methods available today and their use for a given chemical problem and provides samples of inputs/outputs that instruct the reader on how to interpret the results. The book also covers the theoretical basis of Valence Bond (VB) theory and its applications to chemistry in the ground- and excited-states. Applications discussed in the book include sets of exercises and corresponding answers on bonding problems, organic reactions, inorganic/organometallic reactions, and bioinorganic/ biochemical reactions.
This Second Edition contains a new chapter on chemical bonds which includes sections on covalent, ionic, and charge-shift bonds as well as triplet bond pairs, a new chapter on the Breathing-Orbital VB method with its application to molecular excited states, and several new sections discussing recent developments such as DFT-based methods and solvent effects via the Polarizable Continuum Model (PCM).
Genre: Non-Fiction > Educational
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