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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 12, Number 3
BKCSDE 12(3)
March 20, 1991 

 
Title
Semiempirical MO Calculation of Hetero Atom Three-Membered Ring Compounds(Ⅱ)·N-Nitroso-azirine and-diaziridine
Author
Ki Woon Hwang
Keywords
Abstract
Fully optimized MNDO molecular orbital calculations are performed for N-nitroso-azirine (Ⅰ) and-diaziridine (Ⅱ). The ground state geometries show the nonplanar configuration around the imino nitrogen. The nitroso group rotational energy barriers and the ring inversion energy barriers are also discussed.
Page
328 - 331
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