Quantum-chemistry-based force field for 1,2-dimethoxyethane and poly(ethylene oxide) in aqueous solution

Journal of Physical Chemistry B

Volumn 102, Issue 6, 1998, Pages 996-1001

  Bedrov, Dmitry ^a   Pekny, Matthew ^a,b   Smith, Grant D ^a  

^a UNIVERSITY OF UTAH   (United States)

^b UNIVERSITY OF COLORADO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; BONDING; CALCULATIONS; CHEMISTRY; COMPUTER SIMULATION; CONFORMATIONS; MOLECULAR DYNAMICS; POLYETHYLENE OXIDES; QUANTUM THEORY; WATER;

ATOMISTIC FORCE FIELD; DIMETHOXYETHANE; QUANTUM CHEMISTRY; WATER-WATER BINDING;

SOLUTIONS;

EID: 0032484863     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp972545u     Document Type: Article

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