Différences entre les versions de « Basic literature on VB theory »
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# General VB theory : | # General VB theory : | ||
− | ## Short | + | ## Very short introduction on (E)VB theory: [https://wiki.lct.jussieu.fr/workshop/images/8/8f/Chem._Soc._Rev._2014_Shurki.pdf A. Shurki, E. Derat, A. Barrozo and S. C. L. Kamerlin "How valence bond theory can help you understand your (bio)chemical reaction" Chem. Soc. Rev., 2015,44, 1037 |
+ | ## Short course on VB theory: [http://wiki.lct.jussieu.fr/workshop/images/d/d5/Introduction_to_VB_theory_Shaik_Hiberty_chapter_8_Popelier.pdf Shaik, S.; Hiberty, P. C. "Modern Ab-Initio Valence Bond Methods Philippe C. Hiberty and Sason Shaik"] | ||
## Book chapter (long) : [http://wiki.lct.jussieu.fr/workshop/images/d/db/Chapter1_Hiberty_Shaik_RewComputChem04.pdf 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] | ## Book chapter (long) : [http://wiki.lct.jussieu.fr/workshop/images/d/db/Chapter1_Hiberty_Shaik_RewComputChem04.pdf 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] | ||
# Computational VB methods : [http://wiki.lct.jussieu.fr/workshop/images/e/e3/VB_Methods_Hiberty_Shaik_JComputChem07.pdf Hiberty, P. C.; Shaik, S. ''A Survey of Recent Developments in Ab Initio Valence Bond Theory'', J. Comput. Chem. 2007, 28, 137-151] | # Computational VB methods : [http://wiki.lct.jussieu.fr/workshop/images/e/e3/VB_Methods_Hiberty_Shaik_JComputChem07.pdf Hiberty, P. C.; Shaik, S. ''A Survey of Recent Developments in Ab Initio Valence Bond Theory'', J. Comput. Chem. 2007, 28, 137-151] | ||
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# Valence Bond diagrams and its applications : | # Valence Bond diagrams and its applications : | ||
## [http://wiki.lct.jussieu.fr/workshop/images/8/89/VB_Diagrams_Shaik_Shurki_Ang99.pdf Shaik, S.; Shurki, ''A. Valence Bond Diagrams and Chemical Reactivity'', Angew. Chem. Int. Ed. 1999, 38, 586-625]. | ## [http://wiki.lct.jussieu.fr/workshop/images/8/89/VB_Diagrams_Shaik_Shurki_Ang99.pdf Shaik, S.; Shurki, ''A. Valence Bond Diagrams and Chemical Reactivity'', Angew. Chem. Int. Ed. 1999, 38, 586-625]. | ||
− | ## [ | + | ## [https://wiki.lct.jussieu.fr/workshop/images/b/b0/567-Shaik-CSR-VB.pdf 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] |
## [http://wiki.lct.jussieu.fr/workshop/images/a/aa/Valence_bond_way.pdf 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]. | ## [http://wiki.lct.jussieu.fr/workshop/images/a/aa/Valence_bond_way.pdf 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]. | ||
+ | # Books : | ||
+ | ## [http://www.amazon.com/Chemists-Guide-Valence-Bond-Theory/dp/0470037350 Shaik, S.; Hiberty, P. C. ''A Chemist's Guide to Valence Bond Theory''; Wiley-Interscience: New York, 2008] | ||
+ | ## [http://www.amazon.com/Valence-Theory-Theoretical-Computational-Chemistry/dp/0444508899 ''Valence Bond Theory'' ; Cooper, D. L., Ed.; Elsevier: Amsterdam, The Netherlands, 2002] |
Version du 28 août 2016 à 15:48
- General VB theory :
- Very short introduction on (E)VB theory: [https://wiki.lct.jussieu.fr/workshop/images/8/8f/Chem._Soc._Rev._2014_Shurki.pdf A. Shurki, E. Derat, A. Barrozo and S. C. L. Kamerlin "How valence bond theory can help you understand your (bio)chemical reaction" Chem. Soc. Rev., 2015,44, 1037
- Short course on VB theory: Shaik, S.; Hiberty, P. C. "Modern Ab-Initio Valence Bond Methods Philippe C. Hiberty and Sason Shaik"
- Book chapter (long) : 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
- 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
- Reviews on recent applications :
- Valence Bond diagrams and its applications :
- Shaik, S.; Shurki, A. Valence Bond Diagrams and Chemical Reactivity, Angew. Chem. Int. Ed. 1999, 38, 586-625.
- 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
- 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.
- Books :