Change in Energy of Intermolecular Hydrogen Bonds Upon Excitation of Coumarin 120 in Water: A Combined Time-dependent Density Functional Theory/Effective Fragment Potential Study

Change in Energy of Intermolecular Hydrogen Bonds Upon Excitation of Coumarin 120 in Water: A Combined Time-dependent Density Functional Theory/Effective Fragment Potential Study

Year:    2015

Communications in Computational Chemistry, Vol. 3 (2015), Iss. 1 : pp. 18–33

Abstract

You do not have full access to this article.

Already a Subscriber? Sign in as an individual or via your institution

Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/cicc.2015.v3.n1.3

Communications in Computational Chemistry, Vol. 3 (2015), Iss. 1 : pp. 18–33

Published online:    2015-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    16

Keywords:    TDDFT EFP B3LYP HB C120-(H$_2$O)$_7$ complex.