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Excited-State Absorption of Uracil in the Gas Phase: Mapping the Main Decay Paths by Different Electronic Structure Methods.
Fedotov, Daniil A; Paul, Alexander C; Posocco, Paolo; Santoro, Fabrizio; Garavelli, Marco; Koch, Henrik; Coriani, Sonia; Improta, Roberto.
Affiliation
  • Fedotov DA; DTU Chemistry, Technical University of Denmark, Kemitorvet Bldg 207, DK-2800 Kongens Lyngby, Denmark.
  • Paul AC; Department of Chemistry, NTNU-Norwegian University of Science and Technology, N-7491 Trondheim, Norway.
  • Posocco P; Dipartimento di Scienze Chimiche e Farmaceutiche, Università degli Studi di Trieste, via L. Giorgieri 1, I-34127 Trieste, Italy.
  • Santoro F; Istituto di Chimica dei Composti Organometallici (ICCOM-CNR), Area della Ricerca del CNR, Via Moruzzi 1, I-56124 Pisa, Italy.
  • Garavelli M; Department of Industrial Chemistry "Toso Montanari", Università degli Studi di Bologna, I-40126 Bologna, Italy.
  • Koch H; Department of Chemistry, NTNU-Norwegian University of Science and Technology, N-7491 Trondheim, Norway.
  • Coriani S; Scuola Normale Superiore, Piazza dei Cavalieri 7, I-56100 Pisa, Italy.
  • Improta R; DTU Chemistry, Technical University of Denmark, Kemitorvet Bldg 207, DK-2800 Kongens Lyngby, Denmark.
J Chem Theory Comput ; 17(3): 1638-1652, 2021 Mar 09.
Article in En | MEDLINE | ID: mdl-33529532
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Uracil / Density Functional Theory Language: En Journal: J Chem Theory Comput Year: 2021 Document type: Article Affiliation country: Country of publication:
Fulltext
Add to My VHL
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Full text: 1 Collection: 01-internacional Database: MEDLINE Main subject: Uracil / Density Functional Theory Language: En Journal: J Chem Theory Comput Year: 2021 Document type: Article Affiliation country: Country of publication: