An Atomic Charge−Charge Flux−Dipole Flux Atom-in-Molecule Decomposition for Molecular Dipole-Moment Derivatives and Infrared Fundamental Intensities
Author:
Affiliation:
1. Instituto de Química, Universidade Estadual de Campinas, CP 6154, 13083-970 Campinas, SP, Brazil
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp045357u
Reference34 articles.
1. On the interpretation of infrared intensities in planar molecular systems
2. Origin of the CO Stretch Mode Splitting in the Formic Acid Dimer
3. A Model for the Intermolecular Interactions of the Hydrogen Bond That Incorporates Its Spectroscopic Properties
4. Spectroscopically Determined Molecular Mechanics Model for the Intermolecular Interactions in Hydrogen-Bonded Formic Acid Dimer Structures
5. Electrostatic model for infrared intensities in a spectroscopically determined molecular mechanics force field
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