Large-scale molecular dynamics simulations of alkanethiol self-assembled monolayers

Journal of Chemical Physics

Volumn 121, Issue 9, 2004, Pages 4323-4330

  Vemparala, Satyavani ^a   Karki, Bijaya B ^a   Kalia, Rajiv K ^b   Nakano, Aiichiro ^b   Vashishta, Priya ^b  

^a LOUISIANA STATE UNIVERSITY   (United States)

^b University of Southern California ^*  (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALKANETHIOL CHAINS; LATTICE SPACING; MOLECULAR CHAIN LENGTH;

ALCOHOLS; CARBON; CHARACTERIZATION; CHEMICAL MODIFICATION; COMPUTER SIMULATION; CRYSTAL LATTICES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; STATISTICAL METHODS; THERMAL EFFECTS;

SELF ASSEMBLY;

ALKANE; THIOL DERIVATIVE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; PHASE TRANSITION; TEMPERATURE;

ALKANES; COMPUTER SIMULATION; MODELS, CHEMICAL; PHASE TRANSITION; SULFHYDRYL COMPOUNDS; TEMPERATURE;

EID: 4644340684     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1775779     Document Type: Article

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