Semiexperimental equilibrium structure of the lower energy conformer of glycidol by the mixed estimation method

Journal of Physical Chemistry A

Volumn 116, Issue 36, 2012, Pages 9116-9122

  Demaison, Jean ^a   Craig, Norman C ^b   Conrad, Andrew R ^c   Tubergen, Michael J ^c   Rudolph, Heinz Dieter ^d  

^a UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^b OBERLIN COLLEGE   (United States)

^c KENT STATE UNIVERSITY   (United States)

^d UNIVERSITY OF ULM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; EQUILIBRIUM ROTATIONAL CONSTANT; EQUILIBRIUM STRUCTURES; ESTIMATION METHODS; FORCE FIELDS; GLYCIDOL; HYDROGEN ATOMS; HYDROXYL GROUPS; ISOTOPOLOGUES; LOWER ENERGIES; OXIRANE RING; ROTATIONAL CONSTANTS; ROVIBRATIONAL CONSTANTS; STRUCTURAL PARAMETER; WEIGHTED LEAST SQUARES;

CALCULATIONS; HYDROGEN BONDS;

EQUILIBRIUM CONSTANTS;

EID: 84866333084     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp305504x     Document Type: Article

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