Partitioning of higher multipole polarizabilities: Numerical evaluation of transferability

Journal of Physical Chemistry A

Volumn 115, Issue 45, 2011, Pages 13096-13103

  Geldof, D ^a   Krishtal, A ^a   Geerlings, P ^b   Van Alsenoy, C ^a  

^a UNIVERSITY OF ANTWERP   (Belgium)

^b VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

DIPOLE-QUADRUPOLE; DISPERSION INTERACTION; GROUP CONTRIBUTIONS; INTERACTION ENERGIES; LINEAR ALKANES; MULTIPOLES; NUMERICAL EVALUATIONS; POLARIZABILITIES; QUADRUPOLE POLARIZABILITIES; SMALL ORGANIC MOLECULES; WATER CLUSTER;

ATOMS; COMPUTER SIMULATION; FUNCTIONAL GROUPS; PARAFFINS;

IODINE;

EID: 80855134392     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp2076897     Document Type: Article

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