Accurate Intermolecular Potentials Obtained from Molecular Wave Functions: Bridging the Gap between Quantum Chemistry and Molecular Simulations
Chem Rev
.
2000 Nov 8;100(11):4087-108.
doi: 10.1021/cr9900477.
Authors
O Engkvist
1
,
P O Astrand
,
G Karlström
Affiliation
1
Department of Theoretical Chemistry, Chemical Centre, University of Lund, P.O.B. 124, S-221 00 Lund, Sweden.
PMID:
11749341
DOI:
10.1021/cr9900477
No abstract available