Différences entre les versions de « Basic literature on VB theory »

De Workshops
Aller à la navigation Aller à la recherche
 
(27 versions intermédiaires par 3 utilisateurs non affichées)
Ligne 1 : Ligne 1 :
−
[[Program_of_the_VB_workshop|<<< VB workshop program page]]
+
[[VB_tutorial|<<< VB tutorials main page]]
  
  
−
# [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].
+
# Learning how to perform VB calculations:
−
# As a brief introduction to VB theory see : [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"]
+
## All the necessary material to learn the basics of VB theory and be able to perform ones first XMVB calculations may be found here:[https://www.dropbox.com/sh/tgpbnnhqmkd20lw/AAD3xm9hXj-LDkkNzFyWZSIra?dl=0 XMVB tutorial dropbox folder]
−
# [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]
+
# General VB theory :
−
# [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]
+
## Short course on VB theory (book chapter): [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"]
−
# [http://www.amazon.com/Valence-Theory-Theoretical-Computational-Chemistry/dp/0444508899 ''Valence Bond Theory'' ; Cooper, D. L., Ed.; Elsevier: Amsterdam, The Netherlands, 2002].
+
## Longer course on VB theory (book chapter) : [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]
−
# [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]
−
# [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].
+
# Reviews/Essays on Chemical Bonding:
 +
## [https://wiki.lct.jussieu.fr/workshop/images/1/1a/Shaik_et_al-ChargeShiftBonding-2019-Angewandte_Chemie_International_Edition.pdf 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]  
 +
## [https://wiki.lct.jussieu.fr/workshop/images/1/1f/Hiberty-Braida_OM-VB-2018-Angewandte_Chemie_International_Edition.pdf Hiberty, P. C.; Braïda, B. ''Pleading for a dual Molecular-Orbitals/Valence-Bond culture'', Angew. Chem. Int. Ed. 2018, 57, 5994–6002]
 +
# Reviews on applications of VB theory :
 +
## [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]
 +
## [http://dx.doi.org/10.1080/01442350902996092 Cooper, D. L.; Karadakov, P. B. ''Spin-coupled descriptions of organic reactivity'', Int. Rev. Phys. Chem. 2009, 28, 169–206]
 +
# 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].
 +
## [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].
 +
# 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]

Dernière version du 7 septembre 2021 à 09:04

<<< VB tutorials main page


  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
Récupérée de « https://wiki.lct.jussieu.fr/workshop/index.php?title=Basic_literature_on_VB_theory&oldid=82350 »