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Anharmonic Rovibrational Partition Functions for Fluxional Species at High Temperatures via Monte Carlo Phase Space Integrals.
Jasper, Ahren W; Gruey, Zackery B; Harding, Lawrence B; Georgievskii, Yuri; Klippenstein, Stephen J; Wagner, Albert F.
Affiliation
  • Jasper AW; Chemical Sciences and Engineering Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.
  • Gruey ZB; Chemical Sciences and Engineering Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.
  • Harding LB; Chemical Sciences and Engineering Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.
  • Georgievskii Y; Chemical Sciences and Engineering Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.
  • Klippenstein SJ; Chemical Sciences and Engineering Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.
  • Wagner AF; Chemical Sciences and Engineering Division, Argonne National Laboratory , Argonne, Illinois 60439, United States.
J Phys Chem A ; 122(6): 1727-1740, 2018 Feb 15.
Article in En | MEDLINE | ID: mdl-29356534
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Phys Chem A Journal subject: QUIMICA Year: 2018 Document type: Article Affiliation country: Country of publication:
Fulltext
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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: J Phys Chem A Journal subject: QUIMICA Year: 2018 Document type: Article Affiliation country: Country of publication: