Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF

Jean-Philip Piquemal 1 Ben Williams-Hubbard 2 Natalie Fey 3 Robert Deeth 3 Nohad Gresh 4 Claude Giessner-Prettre 1
1 LCT - Laboratoire de chimie théorique
2 Warwick Medical School
3 University of Warwick [Coventry]
4 PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire
Document type :
Journal articles
Complete list of metadatas
https://hal.archives-ouvertes.fr/hal-02127138
Contributor : Jean-Philip Piquemal <>
Submitted on : Monday, May 13, 2019 - 11:29:15 AM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

Links full text

openaccess

Identifiers

Collections

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

Citation

Jean-Philip Piquemal, Ben Williams-Hubbard, Natalie Fey, Robert Deeth, Nohad Gresh, et al.. Inclusion of the ligand field contribution in a polarizable molecular mechanics: SIBFA-LF. Journal of Computational Chemistry, Wiley, 2003, 24 (16), pp.1963-1970. ⟨10.1002/jcc.10354⟩. ⟨hal-02127138⟩

Export

BibTeX TEI DC DCterms EndNote

Share

Metrics

Record views

4

Contact

support.ccsd.cnrs.fr
hal.support@ccsd.cnrs.fr
Logo CCSD