Intermolecular interactions of the CX3OCHO dimers, and complexes CX3OCHO???n(H2O), CX3OCHO???n(HO2) (X???=???H,F; n???=???1,2)Electronic supplementary information (ESI) available: Comparison of the B3LYP and MP2 geometries (Table S1), intermolecular interaction energies (Table S2) and basis set effect on the intermolecular interaction energy (Table S3). See http://www.rsc.org/suppdata/cp/b2/b206405g/.
Urata, Shingo, Tsuzuki, Seiji, Uchimaru, Tadafumi, Chandra, Asit K., Takada, Akira, Sekiya, AkiraVolume:
4
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/b206405g
Date:
October, 2002
File:
PDF, 303 KB
english, 2002