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Theoretical study on the insertion of formaldehyde into the cobalt-hydrogen bond

โœ Scribed by Versluis, Louis; Ziegler, Tom


Book ID
126335771
Publisher
American Chemical Society
Year
1990
Tongue
English
Weight
720 KB
Volume
112
Category
Article
ISSN
0002-7863

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Theoretical study of the nโ†’ฯ€* transition
โœ Yordanka Dimitrova; Sigrid D. Peyerimhoff ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 469 KB

MRD-CI calculations have been carried out for hydrogen-bonded complexes involving formaldehyde and a series of proton donors of varying strengths: N&OH, NH=CHOH, CHr=CHOH and HsO. The energies for the singlet and triplet n-+x\* states of the various complexes are calculated and the shift in the tran