MP2 and density functional studies of hydrogen bonding in model trioses: D-(+)-glyceraldehyde and dihydroxyacetone

Journal of Physical Chemistry A

Volumn 101, Issue 8, 1997, Pages 1542-1548

  Lozynski, Marek ^a   Rusinska Roszak, Danuta ^a   Mack, Hans Georg ^b  

^a POZNAN UNIVERSITY OF TECHNOLOGY   (Poland)

^b UNIVERSITY OF TÜBINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPOSITION; CONFORMATIONS; ELECTRON ENERGY LEVELS; GEOMETRY; MOLECULAR STRUCTURE; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION;

DIHYDROXYACETONE; GLYCERALDEHYDE; INTRAMOLECULAR HYDROGEN BONDS; NONLOCAL DENSITY FUNCTIONAL CALCULATIONS; TRIOSES;

HYDROGEN BONDS;

EID: 0031075624     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962311v     Document Type: Article

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