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Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model.
Dundas, Karen Oda Hjorth Minde; Beerepoot, Maarten T P; Ringholm, Magnus; Reine, Simen; Bast, Radovan; List, Nanna Holmgaard; Kongsted, Jacob; Ruud, Kenneth; Olsen, Jógvan Magnus Haugaard.
Affiliation
  • Dundas KOHM; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway.
  • Beerepoot MTP; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway.
  • Ringholm M; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway.
  • Reine S; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, N-0315 Oslo, Norway.
  • Bast R; Department of Information Technology, UiT The Arctic University of Norway, N-9037 Tromsø, Norway.
  • List NH; Department of Chemistry and the PULSE Institute, Stanford University, 94305 Stanford, California, United States.
  • Kongsted J; SLAC National Accelerator Laboratory, 94025 Menlo Park, California, United States.
  • Ruud K; Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, DK-5230 Odense M, Denmark.
  • Olsen JMH; Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT The Arctic University of Norway, N-9037 Tromsø, Norway.
J Chem Theory Comput ; 17(6): 3599-3617, 2021 Jun 08.
Article in En | MEDLINE | ID: mdl-34009969
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2021 Document type: Article Affiliation country: Norway Country of publication: United States
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Add to My VHL
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Chem Theory Comput Year: 2021 Document type: Article Affiliation country: Norway Country of publication: United States