An approach towards understanding the structure of complex molecular systems: The case of lower aliphatic alcohols

Journal of Physics Condensed Matter

Volumn 22, Issue 40, 2010, Pages

  Vrhovšek, Aleksander ^a,b   Gereben, Orsolya ^a   Pothoczki, Szilvia ^a   Tomšič, Matija ^b   Jamnik, Andrej ^b   Kohara, Shinji ^c   Pusztai, Làszló ^a  

^a INSTITUTE OF EXPERIMENTAL MEDICINE   (Hungary)

^b UNIVERSITY OF LJUBLJANA   (Slovenia)

^c JAPAN SYNCHROTRON RADIATION RESEARCH INSTITUTE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ALIPHATIC ALCOHOL; COMPLEX MOLECULAR SYSTEMS; COMPUTATIONAL STRATEGY; DIFFRACTION DATA; HIGH QUALITY; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MODELS; MONTE CARLO CALCULATION; NEUTRON DIFFRACTION DATA; PARALLEL APPLICATION; REVERSE MONTE CARLO; REVERSE MONTE CARLO MODELLING; X-RAY AND NEUTRON DIFFRACTION; X-RAY DIFFRACTION DATA;

ATOMS; COMPUTER SIMULATION; DEUTERIUM; ETHANOL; METHANOL; MOLECULAR DYNAMICS; MOLECULAR MODELING; NEUTRON DIFFRACTION; PROPANOL; X RAY DIFFRACTION; X RAY DIFFRACTION ANALYSIS;

MONTE CARLO METHODS;

ALCOHOL; METHANOL; PROPANOL;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; MONTE CARLO METHOD; NEUTRON DIFFRACTION; X RAY DIFFRACTION;

1-PROPANOL; COMPUTER SIMULATION; ETHANOL; METHANOL; MODELS, MOLECULAR; MONTE CARLO METHOD; NEUTRON DIFFRACTION; X-RAY DIFFRACTION;

EID: 78349302299     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/22/40/404214     Document Type: Article

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