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Philippe HIBERTY

Groupe TheoSim
ContactTél. : +33 (0)1 69 15 61 75
Fax : +33 (0)1 69 15 61 88
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LocalisationBât 349

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Travaux et publications

Publications récentes
A conversation on new types of chemical bonds.
Hiberty, P.C.; Danovich, D.; Shaik, S.
Isr. J. Chem. 62:e202000114 (2022)  
Valence Bond Alternative Yielding Compact and Accurate Wave Functions for Challenging Excited States. Application to Ozone and Sulfur Dioxide.
Braïda, B.; Chen, Z.; Wu, W.; Hiberty, P.C.
J. Chem. Theory Comput. 17:330−343 (2021)  
Valence Bond Theory—Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects.
Shaik, S.; Danovich, D.; Hiberty, P.C.
Molecules 26:1624 (2021)  
Valence Bond and Molecular Orbital: Two Powerful Theories that Nicely Complement One Another.
Galbraith, J.M.; Shaik, S.; Danovich, D.; Braïda, B.; Wu, W.; Hiberty, P.C.; Cooper, D.L.; Karadakov, P.; Dunning, T.H. Jr.
J. Chem. Educ. 98:3617−3620 (2021)  
Charge-Shift Bonding : A New and Unique Form of Bonding.
Shaik, S.; Danovich, D.; Galbraith, J.M.; Braida, B.; Wu, W.; Hiberty, P.C.
Angew. Chem. Int. Ed. 59:984−1001 (2020)