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Title: Semi-empirical refinements of crystal structures using 17 O quadrupolar-coupling tensors

Authors:
ORCiD logo [1] ;  [2] ; ORCiD logo [3] ; ORCiD logo [1]
  1. Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware 19716, USA
  2. Department of Chemistry, Washington and Jefferson College, Washington, Pennsylvania 15301, USA
  3. Department of Chemistry, Pennsylvania State University, University Park, Pennsylvania 16802, USA, Physical and Computational Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, USA
Publication Date:
Grant/Contract Number:
AC05-76RL01830
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 146; Journal Issue: 6; Related Information: CHORUS Timestamp: 2018-02-14 19:56:57; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1361764