Abstract
Use is made of experimental infrared absorption intensities for calculating atomic charges and charge flows for a class of simple organic molecules. Various methods are discussed. Correlations of the calculated quantities with other independent structural parameters shed some new light on the peculiarities of the electrical properties of CH bonds.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Similar Papers
More From: The Journal of Chemical Physics
Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.