Model-free simulation approach to molecular diffusion tensors

Journal of Chemical Physics

Volumn 139, Issue 15, 2013, Pages

  Chevrot, Guillaume ^a,b   Hinsen, Konrad ^a,b   Kneller, Gerald R ^a,b,c  

^a CENTRE DE BIOPHYSIQUE MOLÉCULAIRE   (France)

^b SYNCHROTRON SOLEIL   (France)

^c UNIVERSITÉ D'ORLÉANS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DIFFUSION TENSOR; LABORATORY FRAME; MEAN SQUARE DISPLACEMENT; MOLECULAR DIFFUSION; MOLECULAR DYNAMICS TRAJECTORIES; SIMULATION APPROACH; STATISTICAL ACCURACY; VELOCITY CORRELATIONS;

COMPUTER SIMULATION; DIFFUSION IN LIQUIDS; DIFFUSION IN SOLIDS; MOLECULAR DYNAMICS; MOLECULES; RANGE FINDING; RIGID STRUCTURES; TRAJECTORIES;

TENSORS;

LYSOZYME; WATER;

ARTICLE; CHEMISTRY; DIFFUSION; METABOLISM; MOLECULAR DYNAMICS;

DIFFUSION; MOLECULAR DYNAMICS SIMULATION; MURAMIDASE; WATER;

EID: 84886557186     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4823996     Document Type: Article

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