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The Structures and Stability of HNOS Isomers

โœ Scribed by Chi Yu-Juan; Yu Hai-Tao; Fu Hong-Gang; Xin Bai-Fu; Li Ze-Sheng; Sun Jia-Zhong

Publisher
John Wiley and Sons
Year
2010
Tongue
English
Weight
464 KB
Volume
21
Category
Article
ISSN
0256-7660

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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