An iSAFT density functional theory for associating polyatomic molecules

Journal of Physical Chemistry B

Volumn 114, Issue 38, 2010, Pages 12298-12307

  Bymaster, Adam ^a   Chapman, Walter G ^a  

^a Rice University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ORDER DISORDER TRANSITIONS; PHASE BEHAVIOR;

CONFINED ENVIRONMENT; MODEL PROBLEMS; MOLECULAR CONNECTIVITY; NEAR-SURFACE; ORDER DISORDER PHASE TRANSITIONS; POLYATOMIC MOLECULAR SYSTEM; POLYATOMIC MOLECULES; POLYATOMIC SYSTEMS; REVERSIBLE BONDING; STAR POLYMERS; STATISTICAL ASSOCIATING FLUID THEORY; SUPRAMOLECULES; THEORETICAL RESULT;

DENSITY FUNCTIONAL THEORY;

EID: 77957165311     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp102677m     Document Type: Article

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