Molecular simulation of a model of dissolved organic matter

Environmental Toxicology and Chemistry

Volumn 24, Issue 8, 2005, Pages 1902-1911

  Sutton, Rebecca ^a   Sposito, Garrison ^a   Diallo, Mamadou S ^b,c   Schulten, Hans Rolf ^d  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

^c Howard University   (United States)

^d UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

Cation binding; Dissolved organic matter; Humic substances; Molecular simulation

Indexed keywords

COMPUTER SIMULATION; HYDRATION; HYDROGEN BONDS; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; POSITIVE IONS; SOILS; SOLVENTS;

ATOMISTIC SIMULATIONS; DISSOLVED ORGANIC MATTER; HUMIC SUBSTANCES; MOLECULAR SIMULATION;

ORGANIC COMPOUNDS;

CALCIUM ION; DISSOLVED ORGANIC MATTER; SODIUM ION; WATER;

DISSOLVED ORGANIC MATTER; MODEL; MOLECULAR ANALYSIS;

ARTICLE; BULK DENSITY; CHEMICAL REACTION KINETICS; CONFORMATIONAL TRANSITION; HUMIC SUBSTANCE; HYDRATION; HYDROGEN BOND; MOLECULAR INTERACTION; MOLECULAR MODEL; PH; PHYSICAL CHEMISTRY; POROSITY; PRIORITY JOURNAL; PROTON TRANSPORT; SOLUBILITY;

HYDROGEN BONDING; MODELS, MOLECULAR; ORGANIC CHEMICALS;

EID: 23744452738     PISSN: 07307268     EISSN: None     Source Type: Journal    
DOI: 10.1897/04-567R.1     Document Type: Article

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