Crystalline ethane-1,2-diol does not have intra-molecular hydrogen bonding: Experimental and theoretical charge density studies

Journal of Molecular Structure

Volumn 964, Issue 1-3, 2010, Pages 126-133

  Chopra, Deepak ^a,b   Guru Row, Tayur N ^a   Arunan, Elangannan ^a   Klein, Roger A ^c  

^a INDIAN INSTITUTE OF SCIENCE   (India)

^b INDIAN INSTITUTE OF SCIENCE EDUCATION AND RESEARCH BHOPAL   (India)

^c UNIVERSITY OF BONN   (Germany)

Author keywords

Ab initio calculations; Conformation analysis; Experimental charge density; In situ cryocrystallization; Inter molecular interactions

Indexed keywords

AB INITIO CALCULATIONS; CONFORMATION ANALYSIS; EXPERIMENTAL CHARGE DENSITY; IN-SITU; INTERMOLECULAR INTERACTIONS;

ACTIVE NETWORKS; CARRIER CONCENTRATION; CRYSTAL STRUCTURE; ELECTRON DENSITY MEASUREMENT; ELECTRONS; ETHANE; ETHYLENE; ETHYLENE GLYCOL; HYDROGEN; MOLECULAR INTERACTIONS; MOLECULAR OXYGEN; MOLECULAR STRUCTURE; TOPOLOGY;

HYDROGEN BONDS;

EID: 74149083558     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.11.021     Document Type: Article

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