Ab Initio Calculation of Amide Carbonyl Stretch Vibrational Frequencies in Solution with Modified Basis Sets. 1. N-Methyl Acetamide
Author:
Affiliation:
1. Department of Chemistry (M/C 111), University of Illinois at Chicago, 845 West Taylor Street, Chicago, Illinois 60607-7061
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp013203y
Reference70 articles.
1. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
2. Ab initio calculation of atomic axial tensors and vibrational rotational strengths using density functional theory
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