Multistate QM/QM Extrapolation of UV/Vis Absorption Spectra with Point Charge Embedding
Author:
Affiliation:
1. Department of Chemistry, University of Kansas, Lawrence, Kansas 66045, United States
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00339
Reference49 articles.
1. QM/MM-Based Calculations of Absorption and Emission Spectra of LSSmOrange Variants
2. Reviews in Computational Chemistry
3. A hybrid method for solutes in complex solvents: Density functional theory combined with empirical force fields
4. Mechanisms and Free Energies of Enzymatic Reactions
5. A QM/MM study on the spinach plastocyanin: Redox properties and absorption spectra
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