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  Thermal averaging of the indirect nuclear spin-spin coupling constants of ammonia: The importance of the large amplitude inversion mode

Yachmenev, A., Yurchenko, S. N., Paidarová, I., Jensen, P., Thiel, W., & Sauer, S. P. A. (2010). Thermal averaging of the indirect nuclear spin-spin coupling constants of ammonia: The importance of the large amplitude inversion mode. Journal of Chemical Physics, 132: 114305, pp. 114305-1-114305-15. doi:10.1063/1.3359850.

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 Creators:
Yachmenev, A.1, Author              
Yurchenko, S. N.1, Author              
Paidarová, I.2, Author
Jensen, P.2, Author
Thiel, W.1, Author              
Sauer, S. P. A.1, Author              
Affiliations:
1Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
2[Sauer, Stephan P. A.] Univ Copenhagen, Dept Chem, DK-2100 Copenhagen O, Denmark.; [Yurchenko, Sergei N.] Tech Univ Dresden, D-01062 Dresden, Germany.; [Paidarova, Ivana] Acad Sci Czech Republic, J Heyrovsky Inst Phys Chem, CZ-18223 Prague 8, Czech Republic.; [Jensen, Per] Berg Univ Gesamthsch Wuppertal, Fachbereich C Theoret Chem, D-42097 Wuppertal, Germany., ou_persistent22              

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Free keywords: ab initio calculations; ammonia; bond lengths; coupled cluster calculations; isotope effects; potential energy surfaces; spin-spin coupling; vibrational states
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Language(s): eng - English
 Dates: 2010
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 537868
DOI: 10.1063/1.3359850
ISI: 000275825500026
 Degree: -

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Title: Journal of Chemical Physics
  Alternative Title : J. Chem. Phys.
Source Genre: Journal
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Publ. Info: MELVILLE : AMER INST PHYSICS
Pages: - Volume / Issue: 132 Sequence Number: 114305 Start / End Page: 114305-1 - 114305-15 Identifier: ISSN: 0021-9606