A BSSE-corrected CASSCF/NEVPT2 procedure. An application to weakly bonded OH..π heterodimer complexes

Author: Kalatzis F. G.   Demetropoulos I. N.  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.105, Iss.17-18, 2007-09, pp. : 2335-2343

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Abstract