CC2 Benchmark for Models of Phenylalanine Protein Chains: 0–0 Transition Energies and IR Signatures of the ππ* Excited State
Author:
Affiliation:
1. LIDYL, CEA, CNRS, Université Paris-Saclay, 91191 Gif-sur-Yvette, France
Funder
Agence Nationale de la Recherche
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b00923
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2. Excited States Computation of Models of Phenylalanine Protein Chains: TD-DFT and Composite CC2/TD-DFT Protocols;International Journal of Molecular Sciences;2022-01-06
3. Model protein excited states: MRCI calculations with large active spaces vs CC2 method;The Journal of Chemical Physics;2021-06-07
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