Quantum cluster equilibrium theory of liquids: Temperature dependence of hydrogen bonding in liquid N-methylacetamide studied by IR spectra

Journal of Physical Chemistry B

Volumn 102, Issue 46, 1998, Pages 9312-9318

  Ludwig, R ^a   Reis, O ^a   Winter, R ^a   Weinhold, F ^b   Farrar, T C ^b  

^a TU DORTMUND UNIVERSITY   (Germany)

^b UNIVERSITY OF WISCONSIN MADISON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000819289     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971575u     Document Type: Article

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60. 4 solution concentration reported here. A planned 12 μm cell configuration should permit additional measurements to test the asymptotic dependence at higher concentrations.
61. Note that other possible cluster types (such as the antiparallel arrangements of the crystalline phase) were examined but ultimately excluded from further consideration because (1) they achieved no significant QCE population at any part of the liquid range or (2) they were not true stationary points on the RHF/3-21G surface.
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