CC2 Benchmark for Models of Phenylalanine Protein Chains: 0-0 Transition Energies and IR Signatures of the ππ* Excited State.
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| Title: | CC2 Benchmark for Models of Phenylalanine Protein Chains: 0-0 Transition Energies and IR Signatures of the ππ* Excited State. |
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| Authors: | Dupuy MS; LIDYL, CEA, CNRS , Université Paris-Saclay , 91191 Gif-sur-Yvette , France., Gloaguen E; LIDYL, CEA, CNRS , Université Paris-Saclay , 91191 Gif-sur-Yvette , France., Tardivel B; LIDYL, CEA, CNRS , Université Paris-Saclay , 91191 Gif-sur-Yvette , France., Mons M; LIDYL, CEA, CNRS , Université Paris-Saclay , 91191 Gif-sur-Yvette , France., Brenner V; LIDYL, CEA, CNRS , Université Paris-Saclay , 91191 Gif-sur-Yvette , France. |
| Source: | Journal of chemical theory and computation [J Chem Theory Comput] 2020 Jan 14; Vol. 16 (1), pp. 601-611. Date of Electronic Publication: 2019 Dec 31. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
| ISSN: | 1549-9626 |
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| DOI: | 10.1021/acs.jctc.9b00923 |
