Extension of the LOPLS-AA Force Field for Alcohols, Esters, and Monoolein Bilayers and its Validation by Neutron Scattering Experiments

Journal of Physical Chemistry B

Volumn 119, Issue 49, 2015, Pages 15287-15299

  Pluhackova, Kristyna ^a   Morhenn, Humphrey ^a   Lautner, Lisa ^a   Lohstroh, Wiebke ^b   Nemkovski, Kirill S ^c   Unruh, Tobias ^a   Böckmann, Rainer A ^a  

^a UNIVERSITY OF ERLANGEN NUREMBERG   (Germany)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^c FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DIHEDRAL ANGLE; ESTERS; FLIGHT SIMULATORS; MOLECULAR DYNAMICS; VAPORIZATION;

HEATS OF VAPORIZATION; HIGH-LEVEL AB INITIO CALCULATIONS; LENNARD-JONES PARAMETERS; LIQUID CRYSTALLINE PHASE; MOLECULAR DYNAMICS SIMULATIONS; NANOSECOND TIME SCALE; NEUTRON SCATTERING EXPERIMENTS; QUASIELASTIC NEUTRON SCATTERING;

NEUTRON SCATTERING;

ACYLGLYCEROL; ALCOHOL DERIVATIVE; ESTER; GLYCEROL OLEATE; LIPID BILAYER;

CHEMISTRY; LIPID BILAYER; NEUTRON; RADIATION SCATTERING; VALIDATION STUDY;

ALCOHOLS; ESTERS; GLYCERIDES; LIPID BILAYERS; NEUTRONS; SCATTERING, RADIATION;

EID: 84949595739     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/acs.jpcb.5b08569     Document Type: Article

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