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RHF and UHF MINDO/3 study on the molecular structures of galvinoxyl and N-galvinoxyl radicals

โœ Scribed by Osamu Kikuchi; Ohgi Takahashi; Kenji Morihashi; Mitsunobu Nakayama


Book ID
119117006
Publisher
Elsevier Science
Year
1988
Tongue
English
Weight
355 KB
Volume
180
Category
Article
ISSN
0166-1280

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On the applicability of the MINDO/3 meth
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## Abstract The geometries and force fields of the different conformers of five alkenes and five chloroalkanes (17 conformers in total) were calculated in the MINDO/3 approximation and compared with the corresponding experimental values. The direct use of geometrical or vibrational parameters deriv