Can the electronegativity equalization method predict spectroscopic properties?

Title
Can the electronegativity equalization method predict spectroscopic properties?
Authors
Keywords
Electronegativity equalization, Hirshfeld-I, Dipole moment, Infrared spectroscopy, Dipole derivatives, Molecular mechanics
Publisher
Elsevier BV
Online
2013-11-09
DOI
10.1016/j.saa.2013.10.124

Ask authors/readers for more resources

Reprint

Contact the author

Find Funding. Review Successful Grants.

Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.

Explore

Ask a Question. Answer a Question.

Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.

Get Started