Molecular dynamics study of the hydrophobic 6,6-ionene oligocation in aqueous solution with sodium halides

Pure and Applied Chemistry

Volumn 82, Issue 10, 2010, Pages 1943-1955

  Druchok, Maksym ^a   Vlachy, Vojko ^b  

^a INSTITUTE FOR CONDENSED MATTER PHYSICS   (Ukraine)

^b UNIVERSITY OF LJUBLJANA   (Slovenia)

Author keywords

3,3 ionene oligocations; 6,6 ionene oligocations; Molecular dynamics; Pair distribution Functions; Simple point charge extended model

Indexed keywords

3,3-IONENE OLIGOCATIONS; 6,6-IONENE OLIGOCATIONS; AQUEOUS SOLUTIONS; COUNTERIONS; EXPLICIT WATER; IODIDE ANIONS; LOW MOLECULAR WEIGHT; MOLECULAR DYNAMICS SIMULATIONS; PAIR DISTRIBUTION FUNCTIONS; PAIR DISTRIBUTIONS; SIMPLE POINT CHARGE/EXTENDED MODEL; SODIUM CATIONS; SPECIFIC EFFECTS; TEMPERATURE VARIATION;

BROMINE COMPOUNDS; CHLORINE COMPOUNDS; DYNAMICS; HYDROPHOBICITY; IONS; MOLECULAR DYNAMICS;

DISTRIBUTION FUNCTIONS;

EID: 77957277156     PISSN: 00334545     EISSN: 13653075     Source Type: Journal    
DOI: 10.1351/PAC-CON-09-10-41     Document Type: Conference Paper

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