Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds?

Document type :
Journal articles
Complete list of metadatas

https://hal.archives-ouvertes.fr/hal-02126864
Contributor : Jean-Philip Piquemal <>
Submitted on : Monday, May 13, 2019 - 7:06:21 AM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

Links full text

Identifiers

Citation

Krystel El Hage, Jean-Philip Piquemal, Zeina Hobaika, Richard Maroun, Nohad Gresh. Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds?. Journal of Computational Chemistry, Wiley, 2013, 34 (13), pp.1125-1135. ⟨10.1002/jcc.23242⟩. ⟨hal-02126864⟩

Share

Metrics

Record views

8