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Ab initio studies on hydrogen-bonded chains. III. The linear, infinite chain of hydrogen cyanide molecules

โœ Scribed by Alfred Karpfen

Book ID
107941948
Publisher
Elsevier Science
Year
1983
Tongue
English
Weight
675 KB
Volume
79
Category
Article
ISSN
0301-0104

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๐Ÿ“œ SIMILAR VOLUMES

Ab initio studies on infinite linear hyd
Ab initio studies on infinite linear hydrogen fluoride chains
โœ Alfred Karpfen; Peter Schuster ๐Ÿ“‚ Article ๐Ÿ“… 1976 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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