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Study of the hydrogen bond in the complexes of water with hydrogen sulfide by the CNDO/2 method

โœ Scribed by V. K. Pogorelyi; Yu. I. Gorlov


Publisher
SP MAIK Nauka/Interperiodica
Year
1978
Tongue
English
Weight
556 KB
Volume
19
Category
Article
ISSN
0022-4766

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A CNDO calculation of the hydrogen bond
โœ W.H. De Jeu ๐Ÿ“‚ Article ๐Ÿ“… 1970 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 289 KB

A CNDC calculation is performed on formaldehyde and formaldehyde-water in the ground state and in the lowest excited state. The Ii bonds in the ground state and in the excited state are very similar although the latter is a little weaker. This difference corresponds to the blue shift th the n -7;-