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Coupling Quantum Interpretative Techniques: Another Look at Chemical Mechanisms in Organic Reactions
Natacha Gillet
1
Robin Chaudret
Julia Contreras-Garcı́a
Weitao Yang
2
Bernard Silvi
3
Jean-Philip Piquemal
3
Natacha Gillet 1
Author IdHAL : natacha-gillet IdRef : https://www.idref.fr/180438174 ORCID : https://orcid.org/0000-0002-7657-6861
Robin Chaudret
Author
Julia Contreras-Garcı́a
Author IdHAL : julia-contreras-garcia ORCID : https://orcid.org/0000-0002-8947-9526
Weitao Yang 2
Author
Bernard Silvi 3
Author
Jean-Philip Piquemal 3
Author IdHAL : jean-philip-piquemal ORCID : https://orcid.org/0000-0001-6615-9426 ResearcherId : http://www.researcherid.com/rid/B-9901-2009
1
LCPO - Laboratoire de Chimie Physique D'Orsay (Bâtiments 349/350 avenue Georges CLEMENCEAU 91405 ORSAY CEDEX - France)
- UP11 - Université Paris-Sud - Paris 11 (Bâtiment 300 - 91405 Orsay cedex - France)
- INC - Institut de Chimie du CNRS (3 Rue Michel-Ange 75 016 Paris - France)
- CNRS - Centre National de la Recherche Scientifique : UMR8000 (France)
2
Department of Chemistry (Durham, North Carolina 27708-0354 - United States)
- Duke University [Durham] (Durham, NC 27708 - United States)
3
LCT - Laboratoire de chimie théorique (Tour 12-13, 4ème étage, 4 place Jussieu, Case Courrier 137, 75252 PARIS - France)
- UPMC - Université Pierre et Marie Curie - Paris 6 (4 place Jussieu - 75005 Paris - France)
- INC - Institut de Chimie du CNRS (3 Rue Michel-Ange 75 016 Paris - France)
- CNRS - Centre National de la Recherche Scientifique : UMR7616 / UPR9070 (France)
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Journal articles
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https://hal.archives-ouvertes.fr/hal-02126838
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Sunday, May 12, 2019 - 11:36:54 PM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Sunday, May 12, 2019 - 11:36:54 PM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM
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- HAL Id : hal-02126838, version 1
- DOI : 10.1021/ct300234g
- PUBMEDCENTRAL : PMC3505119
Collections
CNRS | INC-CNRS | LCT | UPMC | SORBONNE-UNIVERSITE | SU-SCIENCES | SU-TI | UNIV-PARIS-SACLAY
Citation
Natacha Gillet, Robin Chaudret, Julia Contreras-Garcı́a, Weitao Yang, Bernard Silvi, et al.. Coupling Quantum Interpretative Techniques: Another Look at Chemical Mechanisms in Organic Reactions. Journal of Chemical Theory and Computation, American Chemical Society, 2012, 8 (11), pp.3993-3997. ⟨10.1021/ct300234g⟩. ⟨hal-02126838⟩
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