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NQR study of the nature of C-C1 bonds in chlorocyclopropanes

โœ Scribed by A. N. Murin; I. V. Murin; V. P. Kazakov; V. P. Sivkov

Publisher
SP MAIK Nauka/Interperiodica
Year
1972
Tongue
English
Weight
196 KB
Volume
13
Category
Article
ISSN
0022-4766

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A b initio Hartree-Fock calculations at the 6-31G\*//6-31G\* and MP3/6-31G\*//6-31G\* levels of theory are reported for propylamine. All ten stationary points needed in a description of the rotation around the C1-C2 bond have been located on the 6-31G\* surface and each of these points has been exam