Friction in carborane-based molecular rotors driven by gas flow or electric field: Classical molecular dynamics

ACS Nano

Volumn 6, Issue 3, 2012, Pages 1901-1914

  Prokop, Alexandr ^a,b   Vacek, Jaroslav ^a,b   Michl, Josef ^a,b  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b UNIVERSITY OF COLORADO   (United States)

Author keywords

friction; intramolecular vibrational redistribution; molecular dynamics; molecular rotors; potential energy barriers

Indexed keywords

AROMATIC RINGS; CARBORANES; CLASSICAL MOLECULAR DYNAMICS; DECREASING FUNCTIONS; DYNAMIC FRICTION; FREE ROTATION; FRICTION TORQUE; GHZ FREQUENCIES; INTRAMOLECULAR VIBRATIONAL REDISTRIBUTIONS; MOLECULAR ROTORS; POTENTIAL BARRIERS; RARE GAS; ROTATIONAL POTENTIAL; ROTOR FREQUENCY; STRIBECK CURVE;

ELECTRIC FIELDS; ENERGY BARRIERS; FRICTION; POTENTIAL ENERGY; ROTATION; TRIBOLOGY;

MOLECULAR DYNAMICS;

BORANE DERIVATIVE; CARBON; HELIUM;

ARTICLE; CHEMISTRY; CONFORMATION; ELECTRICITY; FRICTION; GAS; MOLECULAR DYNAMICS; ROTATION;

BORANES; CARBON; ELECTRICITY; FRICTION; GASES; HELIUM; MOLECULAR CONFORMATION; MOLECULAR DYNAMICS SIMULATION; ROTATION;

EID: 84859134035     PISSN: 19360851     EISSN: 1936086X     Source Type: Journal    
DOI: 10.1021/nn300003x     Document Type: Article

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