Progress Towards Accurate Molecular Modeling of Metal Complexes Using Polarizable Force Fields

R. Chaudret 1 S. Ulmer 2 M.-C. Van Severen 2 N. Gresh 3 O. Parisel 2 G. Cisneros 4 T. Darden 5 J.-P. Piquemal 2
1 LCT - Laboratoire de chimie théorique
2 LCT - Laboratoire de chimie théorique
3 UPD5 - Université Paris Descartes - Paris 5
4 Wayne State University [Detroit]
5 NIEHS - National Institute of Environmental Health Sciences
Document type :
Conference papers
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https://hal.archives-ouvertes.fr/hal-02126821
Contributor : Jean-Philip Piquemal <>
Submitted on : Sunday, May 12, 2019 - 10:53:38 PM
Last modification on : Wednesday, May 15, 2019 - 11:12:13 AM

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  • HAL Id : hal-02126821, version 1

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INC-CNRS | LCT | UPMC | UNIV-PARIS5 | SORBONNE-UNIVERSITE | USPC | SU-SCIENCES

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R. Chaudret, S. Ulmer, M.-C. Van Severen, N. Gresh, O. Parisel, et al.. Progress Towards Accurate Molecular Modeling of Metal Complexes Using Polarizable Force Fields. THEORY AND APPLICATIONS OF COMPUTATIONAL CHEMISTRY—2008, 2008, Shanghai (China), France. pp.185-192. ⟨hal-02126821⟩

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