Structure and layer interaction in carbon monofluoride and graphane: A comparative computational study

Journal of Physical Chemistry A

Volumn 114, Issue 16, 2010, Pages 5389-5396

  Artyukhov, Vasilii I ^a   Chernozatonskii, Leonid A ^a  

^a EMANUEL INSTITUTE OF BIOCHEMICAL PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BASIC CHEMICALS; CLASSICAL MOLECULAR DYNAMICS; COMPUTATIONAL STUDIES; CONFORMATIONAL DISORDERS; EXPERIMENTAL DATA; FIRST-PRINCIPLES; FORCE FIELDS; IN-PLANE LATTICES; INTERLAYER DISTANCE; LAYER INTERACTION; LAYER STACKING; NONLOCAL DENSITIES; QUANTUM CHEMICAL; QUANTUM CHEMICAL CALCULATIONS; RANGE DISPERSION; TWO-MATERIALS;

MATERIALS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MONOLAYERS; QUANTUM CHEMISTRY;

CONFORMATIONS;

FLUOROCARBON; GRAPHITE; POLY(MONOFLUORO HYDROCARBON);

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; QUANTUM THEORY;

COMPUTER SIMULATION; FLUOROCARBON POLYMERS; GRAPHITE; MODELS, CHEMICAL; MOLECULAR STRUCTURE; QUANTUM THEORY;

EID: 77951581065     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp1003566     Document Type: Article

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