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The dodecahedral N20 molecule. Some theoretical predictions

✍ Scribed by Andrey A. Bliznyuk; Mingzuo Shen; Henry F. Schaefer III


Book ID
107735380
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
316 KB
Volume
198
Category
Article
ISSN
0009-2614

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The structures of the organoboron anions HBCH and HBCBHz have been determined using ab initio methods that include the effects of dynamical electron correlation. Optimized geometries, electric dipole moments and harmonic vibrational frequencies are presented and discussed at the various levels of th