Solvent effects on internal rotational barriers in furfural. NMR measurements and ab-initio molecular orbital methods using continuum models

Journal of Physical Chemistry A

Volumn 101, Issue 38, 1997, Pages 7182-7188

  Bain, Alex D ^a   Hazendonk, Paul ^a  

^a MCMASTER UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

ACETONE; ALDEHYDES; CALCULATIONS; COMPOSITION EFFECTS; CONFORMATIONS; CONTINUUM MECHANICS; MATHEMATICAL MODELS; METHANOL; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORGANIC SOLVENTS; PERMITTIVITY; TOLUENE;

AB INITIO MOLECULAR ORBITAL METHODS; INTERNAL ROTATIONAL BARRIERS; SELF CONSISTENT REACTION FIELD;

MOLECULAR DYNAMICS;

EID: 0031235373     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971520s     Document Type: Article

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