Basic literature on VB theory

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  1. Learning how to perform VB calculations:
    1. All the necessary material to learn the basics of VB theory and be able to perform ones first XMVB calculations may be found here:XMVB tutorial dropbox folder
  2. General VB theory :
    1. Short course on VB theory (book chapter): Shaik, S.; Hiberty, P. C. "Modern Ab-Initio Valence Bond Methods Philippe C. Hiberty and Sason Shaik"
    2. Longer course on VB theory (book chapter) : Shaik, S.; Hiberty, P. C. Valence Bond Theory, its History, Fundamentals, and Applications. A Primer In Rev. Comput. Chem.; Kenny B. Lipkowitz, R. L., Thomas R. Cundari, Ed.; Wiley-VCH: New York, 2004; Vol. 20; pp 1-100
  3. Computational VB methods : Hiberty, P. C.; Shaik, S. A Survey of Recent Developments in Ab Initio Valence Bond Theory, J. Comput. Chem. 2007, 28, 137-151
  4. Reviews/Essays on Chemical Bonding:
    1. Shaik, S.; Danovich, D.; Morrison Galbraith, J.; Braïda, B.; Wu, W.; Hiberty, P. C. Charge-Shift Bonding: A New and Unique Form of Bonding, Angew. Chem. Int. Ed. 2019, DOI:10.1002/anie.201910085
    2. Hiberty, P. C.; Braïda, B. Pleading for a dual Molecular-Orbitals/Valence-Bond culture, Angew. Chem. Int. Ed. 2018, 57, 5994–6002
  5. Reviews on applications of VB theory :
    1. Wu, W.; Su, P.; Shaik, S. and Hiberty, P. C. Classical Valence Bond Approach by Modern Methods; Chem. Rev. 2011, 111, 7557–7593
    2. Cooper, D. L.; Karadakov, P. B. Spin-coupled descriptions of organic reactivity, Int. Rev. Phys. Chem. 2009, 28, 169–206
  6. Valence Bond diagrams and its applications :
    1. Shaik, S.; Shurki, A. Valence Bond Diagrams and Chemical Reactivity, Angew. Chem. Int. Ed. 1999, 38, 586-625.
    2. D. Usharani, W. Lai, C. Li, H. Chen, D. Danovicha and S. Shaik A tutorial for understanding chemical reactivity through the valence bond approach, Chem. Soc. Rev., 2014, 43, 4968
    3. Lai, W.; Li, C.; Chen, H.; Shaik, S. Hydrogen-Abstraction Reactivity Patterns from A to Y: The Valence Bond Way, Angew. Chem. Int. Ed. 2012, 51, 5556-5578.
  7. Books :
    1. Shaik, S.; Hiberty, P. C. A Chemist's Guide to Valence Bond Theory; Wiley-Interscience: New York, 2008
    2. Valence Bond Theory ; Cooper, D. L., Ed.; Elsevier: Amsterdam, The Netherlands, 2002