Estimation of the mutual orientation and intermolecular interaction of C12Ex from molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 116, Issue 16, 2012, Pages 4879-4888

  Velinova, Maria ^a   Tsoneva, Yana ^a   Ivanova, Anela ^a   Tadjer, Alia ^a  

^a UNIVERSITY OF SOFIA   (Bulgaria)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CLUSTER ANALYSIS; ETHERS; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULES; NONIONIC SURFACTANTS; ORGANIC COMPOUNDS; POLYETHYLENE GLYCOLS; QUANTUM CHEMISTRY; SELF ASSEMBLY; SOLUTIONS;

ALKYL ETHERS; AVERAGE STRUCTURE; COARSE-GRAINED; COMBINED ANALYSIS; DIFFERENT STRUCTURE; ETHER GROUP; EXPERIMENTAL PARAMETERS; EXPLICIT WATER; FORCE FIELDS; HYDROPHOBIC AND HYDROPHILIC; INTERMOLECULAR INTERACTIONS; MOLECULAR DYNAMICS SIMULATIONS; MUTUAL ORIENTATION; PERIODIC BOUNDARY CONDITIONS; QUANTUM CHEMISTRY CALCULATIONS; SELF ASSEMBLY PROCESS; SELF-ASSEMBLY PATTERNS; SOLVENT-SOLUTE INTERACTIONS; STRUCTURAL PARAMETER; TARGET MOLECULE; WATER SOLUBILITIES;

DIMERS;

EID: 84860294414     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp212047r     Document Type: Article

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