The interpretation of diffraction patterns of two prototypical protic ionic liquids: A challenging task for classical molecular dynamics simulations

Journal of Physical Chemistry B

Volumn 116, Issue 43, 2012, Pages 13024-13032

  Gontrani, Lorenzo ^a,b   Bodo, Enrico ^b   Triolo, Alessandro ^a   Leonelli, Francesca ^b   D'Angelo, Paola ^b   Migliorati, Valentina ^b   Caminiti, Ruggero ^b  

^a CNR   (Italy)

^b SAPIENZA UNIVERSITY OF ROME   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AMPHIPHILIC BEHAVIOR; AMPHIPHILICS; CLASSICAL MOLECULAR DYNAMICS; ENERGY-DISPERSIVE X-RAY DIFFRACTION; FORCE FIELDS; GENERAL PURPOSE; HYDROXYDERIVATIVE; LOCAL STRUCTURE; LOW-Q PEAK; MOLECULAR DYNAMICS SIMULATIONS; POLARIZABLE FORCE FIELD; POLARIZATION EFFECT; POTENTIAL PARAMETERS; ROOM TEMPERATURE IONIC LIQUIDS; SCATTERING PATTERN; STRUCTURAL FEATURE; THREE-BODY POTENTIAL; X-RAY RADIAL DISTRIBUTION FUNCTION;

DIFFRACTION PATTERNS; HYDROGEN BONDS; INTERFEROMETRY; MOLECULAR DYNAMICS; X RAY DIFFRACTION;

IONIC LIQUIDS;

EID: 84868227268     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp306110g     Document Type: Article

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