Différences entre les versions de « Basic literature on VB theory »
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## 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] | ||
− | # | + | # Reviews on recent applications : |
+ | ## [http://wiki.lct.jussieu.fr/workshop/images/b/bd/VB_review_Wu_Su_Shaik_Hiberty_ChemRev_11.pdf Wu, W.; Su, P.; Shaik, S. and Hiberty, P. C. ''Classical Valence Bond Approach by Modern Methods''; Chem. Rev. 2011, 111, 7557–7593] | ||
# 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]. | ||
## [http://wiki.lct.jussieu.fr/workshop/images/2/22/Blended_hydrogen.pdf Chunsen, L.; Danovich, D.; Shaik, S. ''Blended hydrogen atom abstraction and proton-coupled electron transfer mechanisms of closed-shell molecules'', Chemical Science 2012, 3, 1903-1918] | ## [http://wiki.lct.jussieu.fr/workshop/images/2/22/Blended_hydrogen.pdf Chunsen, L.; Danovich, D.; Shaik, S. ''Blended hydrogen atom abstraction and proton-coupled electron transfer mechanisms of closed-shell molecules'', Chemical Science 2012, 3, 1903-1918] | ||
## [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]. |
Version du 5 juillet 2012 à 16:37
- Books :
- General VB theory :
- Short introduction 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.
- Chunsen, L.; Danovich, D.; Shaik, S. Blended hydrogen atom abstraction and proton-coupled electron transfer mechanisms of closed-shell molecules, Chemical Science 2012, 3, 1903-1918
- 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.