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Molecular orbital studies of hydrogen bonds. IX. Electron distribution analysis

โœ Scribed by Yamabe, Shinichi; Morokuma, Keiji

Book ID
126200815
Publisher
American Chemical Society
Year
1975
Tongue
English
Weight
867 KB
Volume
97
Category
Article
ISSN
0002-7863

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๐Ÿ“œ SIMILAR VOLUMES

Molecular orbital studies of hydrogen bo
Molecular orbital studies of hydrogen bonds. IV. Hydrogen bonds in excited states of H2CO with H2O
โœ Suehiro Iwata; Keiji Morokuma ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 415 KB

Ab initio calculations for the interacting system of lower excited states of planar and bent HzCO with B?O have been carried out with a minimum basis set, using the recently proposed electron-hole potential method The blue shifts of the n-z\* transition are evaiuated as I100 and 142Q cm-\* ' .or th