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

Authors

  • Mariyappa Ramegowda

DOI:

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

Keywords:

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

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Published

2018-08-15

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Issue

Vol. 3 No. 1 (2015)

Section

Articles

How to Cite

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. (2018). Communications in Computational Chemistry, 3(1), 18-33. https://doi.org/10.4208/cicc.2015.v3.n1.3