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Ab initio study of the electronic structures and conduction properties of nitrogen containing analogues of polyacetylene

✍ Scribed by A.K. Bakhshi; J. Ladik


Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
347 KB
Volume
60
Category
Article
ISSN
0038-1098

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πŸ“œ SIMILAR VOLUMES


An ab initio study of the electronic str
✍ R. Ahlrichs; V. Staemmler πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 521 KB

Ab initio caIculatio~~ on the structure and geometry of the three isomers of NzH2 (Parzsdiimide, cifdiimide, and 1,ldihydrodiazine) were performed both on HT: and CI level using px..sLn basis sets with polarization functiotx The nuns uld cis isomers have singlet ground states; the tram isomer is fo