Multiscale simulation on a light-harvesting molecular triad

Journal of Physical Chemistry B

Volumn 116, Issue 29, 2012, Pages 8460-8473

  Su, Guoxiong ^a   Czader, Arkadiusz ^a   Homouz, Dirar ^b   Bernardes, Gabriela ^a   Mateen, Sana ^a   Cheung, Margaret S ^a  

^a University of Houston   (United States)

^b KHALIFA UNIVERSITY   (United Arab Emirates)

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONS; HYDROGEN BONDS; MOLECULAR DYNAMICS; PORPHYRINS; QUANTUM CHEMISTRY; SOLVATION;

AMBIENT CONDITIONS; ATOMIC CHARGE; BULK SYSTEM; CONFINEMENT EFFECTS; CONFORMATION DISTRIBUTION; DIRECT IMPACT; FINITE-SIZE SYSTEMS; FREE ENERGY LANDSCAPE; HYDROGEN BOND NETWORKS; LIGHT-HARVESTING; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR TRIADS; MULTI-SCALE APPROACHES; MULTI-SCALE SIMULATION; NANOSIZED CONFINEMENTS; REPLICA EXCHANGE METHOD; SAMPLING EFFICIENCY; SAMPLING TECHNIQUE; SPC/E WATER; STATISTICAL PHYSICS; STRUCTURAL CHARACTERISTICS; STRUCTURAL DIFFERENCES; U-SHAPED CONFORMATIONS; WATER DENSITY; WATER MODELS;

PHASE INTERFACES;

EID: 84864187545     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp212273n     Document Type: Article

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