Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution

Jean-Philip Piquemal; Nohad Gresh; Claude Giessner-Prettre

doi:10.1021/jp035748t

Journal Articles Journal of Physical Chemistry A Year : 2003

Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution

(1) , (2) , (1)

1
2

Jean-Philip Piquemal

Function : Author
PersonId : 7807
IdHAL : jean-philip-piquemal
ORCID : 0000-0001-6615-9426
IdRef : 089289439

Laboratoire de chimie théorique

CV

Nohad Gresh

Function : Author
PersonId : 842212

Pharmacochimie Moléculaire et Cellulaire

Claude Giessner-Prettre

Function : Author

Laboratoire de chimie théorique

Domains

Theoretical and/or physical chemistry

Jean-Philip Piquemal : Connect in order to contact the contributor

https://hal.science/hal-02126882

Submitted on : Monday, May 13, 2019-7:34:44 AM

Last modification on : Thursday, April 11, 2024-1:08:12 PM

Dates and versions

hal-02126882 , version 1 (13-05-2019)

Identifiers

HAL Id : hal-02126882 , version 1
DOI : 10.1021/jp035748t

Cite

Jean-Philip Piquemal, Nohad Gresh, Claude Giessner-Prettre. Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution. Journal of Physical Chemistry A, 2003, 107 (48), pp.10353-10359. ⟨10.1021/jp035748t⟩. ⟨hal-02126882⟩

Export

BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite

Collections

UPMC CNRS LCT SORBONNE-UNIVERSITE SU-SCIENCES CHIMIE-SU

34 View

0 Download

Improved Formulas for the Calculation of the Electrostatic Contribution to the Intermolecular Interaction Energy from Multipolar Expansion of the Electronic Distribution

Domains

Dates and versions

Identifiers

Cite

Export

Collections

Altmetric

Share