How Accessible Is Atomic Charge Information from Infrared Intensities? A QTAIM/CCFDF Interpretation
Author:
Affiliation:
1. Instituto de Química, Universidade Estadual de Campinas, 13083-970, Campinas, SP, Brazil
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp304474e
Reference35 articles.
1. The Measurement of Bond Moments and Derivatives in HCN and DCN from Infrared Intensities
2. Bond Moments and Molecular Structure:
3. An effective atomic charge model for infrared intensities
4. Bond charge parameters from integrated infrared intensities
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