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Multireference Configuration Interaction Calculations of Electronic States of N -Methylformamide, Acetamide, and N -Methylacetamide

✍ Scribed by Hirst, Jonathan D.; Hirst, David M.; Brooks, Charles L.


Book ID
127306324
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
127 KB
Volume
101
Category
Article
ISSN
1089-5639

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Relationship between intermolecular hydrogen bonding and features in ## Ε½ . Ε½ . the low-wave-number infrared IR and Raman spectra of liquid formamide FA , Ε½ . Ε½ . N-methylformamide NMF , and N-methylacetamide NMA is studied by performing ab initio molecular orbital calculations on clusters of the