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Thermodynamic study of complex formation between dimethyl sulphoxide and chloroform

✍ Scribed by D.V Fenby; L.G Hepler


Publisher
Elsevier Science
Year
1974
Tongue
English
Weight
245 KB
Volume
6
Category
Article
ISSN
0021-9614

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A b initio SCF and CI calculations on the cationic and neutral complexes of formaldehyde and lithium are reported. For the cationic complex CH20/Li+, the stabilization energy of 41.7 kcaVmol obtained from the SCF calculation increases to 51.6 kcaVmol if a configuration interaction is introduced. For