A PW91 density functional study of conformational choice in 2-phenylethanol, n-butylbenzene, and their cations: Problems for density functional theory?

Patey, M.D. and Dessent, C.E.H. (2002) A PW91 density functional study of conformational choice in 2-phenylethanol, n-butylbenzene, and their cations: Problems for density functional theory? Journal of Physical Chemistry A, 106 (18). pp. 4623-4631. ISSN 1089-5639

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Authors/Creators:
  • Patey, M.D.
  • Dessent, C.E.H.
Institution: The University of York
Academic Units: The University of York > Chemistry (York)
Depositing User: York RAE Import
Date Deposited: 17 Apr 2009 13:21
Last Modified: 17 Apr 2009 13:21
Published Version: http://dx.doi.org/10.1021/jp012966i
Status: Published
Publisher: American Chemical Society
Identification Number: 10.1021/jp012966i

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