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Ab initio studies on the hydrogen bonded complexes between hydrogen fluoride and hydroxylamine

✍ Scribed by Brown, Richard E.; Zhang, Qingguo; Bartlett, Rodney J.


Book ID
121420127
Publisher
American Chemical Society
Year
1991
Tongue
English
Weight
690 KB
Volume
113
Category
Article
ISSN
0002-7863

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Ab initio studies on infinite linear hyd
✍ Alfred Karpfen; Peter Schuster πŸ“‚ Article πŸ“… 1976 πŸ› Elsevier Science 🌐 English βš– 547 KB

Ab initio crystal orbital calculations on linear infinltc chains of hydrogen fluoride and MO calculations OR HF and the lincar dimer have been pcrformcd. Equihbrium gcomctries, force conctants, band structure%, densities ofstatcs and Ion& tudmal phonon disperdons arc prercnted, and compared with the