A perturbation density functional theory for the competition between inter and intramolecular association

Journal of Chemical Physics

Volumn 136, Issue 15, 2012, Pages

  Marshall, Bennett D ^a   García Cuéllar, Alejandro J ^b   Chapman, Walter G ^a  

^a Rice University   (United States)

^b SCHOOL OF ENGINEERING AND SCIENCES   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

CHAIN MOLECULES; FLUID-SOLID INTERFACES; INTERFACIAL PROPERTY; INTRAMOLECULAR ASSOCIATION; MONTE CARLO SIMULATION; PARTITION COEFFICIENT; PERTURBATION DENSITY FUNCTIONAL THEORY; THERMODYNAMIC PERTURBATION THEORY;

MONTE CARLO METHODS;

DENSITY FUNCTIONAL THEORY;

EID: 84860210462     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3703015     Document Type: Article

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