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CNDO/2 calculations on the structure and properties of chlorine difluoride

โœ Scribed by B M Deb; Geeta D Mahajan; V S Vasan

Book ID
112908996
Publisher
Springer-Verlag
Year
1977
Tongue
English
Weight
436 KB
Volume
9
Category
Article
ISSN
0304-4289

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CNDO/2 calculations of intermolecular interactions in chlorine-ethylene and bromine-ethylene systems
โœ N.F. Stepanov; O.E. Grikina; G.B. Sergeev; V.V. Smirnov ๐Ÿ“‚ Article ๐Ÿ“… 1978 ๐Ÿ› Elsevier Science โš– 351 KB

SCF-MO-LCAO CND0/2 calculations have been performed for 1:l molecular complexes of ethylene with chlorine and bromine. The calculations predict for the chloro compound a structure with the Cl2 molecule normal to the ethylene pIane and positioned above the centre of the double bond. A number of str