Evaluation of the GROMOS 56ACARBO Force Field for the Calculation of Structural, Volumetric, and Dynamic Properties of Aqueous Glucose Systems

Journal of Physical Chemistry B

Volumn 119, Issue 49, 2015, Pages 15310-15319

  Batista, Marta L S ^a,b   Pérez Sánchez, Germán ^a   Gomes, José R B ^a   Coutinho, João A P ^a   Maginn, Edward J ^b  

^a UNIVERSITY OF AVEIRO   (Portugal)

^b University of Notre Dame   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION REACTIONS; BIOLOGICAL MATERIALS; DISTRIBUTION FUNCTIONS; FEEDSTOCKS; FUNCTION EVALUATION; HYDROGEN BONDS; MOLECULAR DYNAMICS; SOLUTIONS; STRUCTURAL PROPERTIES; VISCOSITY;

ALTERNATIVE FEEDSTOCKS; AQUEOUS GLUCOSE SOLUTIONS; BIOLOGICAL FUNCTIONS; COORDINATION NUMBER; GLUCOSE CONCENTRATION; INDUSTRIAL PROCESSS; INTERMOLECULAR POTENTIALS; MOLECULAR DYNAMICS SIMULATIONS;

GLUCOSE;

GLUCOSE; WATER;

CHEMICAL STRUCTURE; CHEMISTRY;

GLUCOSE; MOLECULAR STRUCTURE; WATER;

EID: 84949513898     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b08155     Document Type: Article

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