The crystalline enol of 1,3-cyclohexanedione and its complex with benzene: Vibrational spectra, simulation of structure and dynamics and evidence for cooperative hydrogen bonding

Journal of Physical Chemistry A

Volumn 108, Issue 36, 2004, Pages 7356-7363

  Hudson, Bruce S ^a   Braden, Dale A ^b   Allis, Damian G ^e   Jenkins, Tim ^e   Baronov, Sergey ^a,f   Middleton, Chris ^a,g   Withnall, Robert ^c   Brown, Craig M ^d  

^a SYRACUSE UNIVERSITY   (United States)

^b SCHRÖDINGER INC   (United States)

^c UNIVERSITY OF GREENWICH   (United Kingdom)

^d UNIVERSITY OF MARYLAND   (United States)

^e NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^f MOSCOW STATE UNIVERSITY   (Russian Federation)

^g OHIO STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL TREATMENTS; CONJUGATED DONORS; CRYSTAL PACKING;

BENZENE; COMPLEXATION; COMPUTER SIMULATION; CRYSTAL STRUCTURE; HYDROGEN BONDS; MATHEMATICAL MODELS; NATURAL FREQUENCIES; NEUTRON SCATTERING; PROBABILITY DENSITY FUNCTION;

PARAFFINS;

EID: 4544335757     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp048613b     Document Type: Article

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