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Heats of formation, structures and relative stabilities of some tetraazapentalene-related molecules

โœ Scribed by M.Edward Grice; Peter Politzer

Book ID
113258762
Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
505 KB
Volume
358
Category
Article
ISSN
0166-1280

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The structures and relative stabilities of furoxan and some of its isomers, e.g., the 1,Z-dinitrosoethylenes, have been determined by means of ab initio Hartree-Fock and Mgller-Plesset calculations. Geometries were optimized at the HF/3-21G, HF/6-31G\* and MP2/6-31G\* levels, and subsequently used f