Molecular dynamics simulation study of ethylene glycol, ethylenediamine, and 2-aminoethanol. 1. The local Structure in pure liquids

Journal of Physical Chemistry A

Volumn 108, Issue 35, 2004, Pages 7151-7164

  Gubskaya, A V ^a   Kusalik, P G ^a  

^a DALHOUSIE UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

PURE LIQUIDS; RADIAL DISTRIBUTION FUNCTIONS (RDF); RING-LIKE STRUCTURES; SPATIAL DISTRIBUTION FUNCTIONS (SDF0;

ALCOHOLS; AMINES; BINDING ENERGY; COMPUTATIONAL METHODS; COMPUTER SIMULATION; CONFORMATIONS; DIFFUSION; ETHANE; HYDROGEN BONDS; ISOMERS; MACROMOLECULES; MOLECULAR STRUCTURE; STRUCTURAL ANALYSIS; VAPORIZATION;

MOLECULAR DYNAMICS;

EID: 4444256798     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0489222     Document Type: Article

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