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ChemPhysChem

Volumn 13, Issue 7, 2012, Pages 1625-1637

Force fields for studying the structure and dynamics of ionic liquids: A critical review of recent developments

(5) Dommert, Florian a Wendler, Katharina c Berger, Robert d Delle Site, Luigi b Holm, Christian a

a UNIVERSITY OF STUTTGART (Germany)

b FREIE UNIVERSITÄT BERLIN (Germany)

c MAX PLANCK INSTITUTE FOR POLYMER RESEARCH (Germany)

d DARMSTADT UNIVERSITY OF TECHNOLOGY (Germany)

Author keywords

density functional calculations; force fields; ionic liquids; molecular dynamics; molecular modeling

Indexed keywords

DENSITY FUNCTIONAL THEORY; FITS AND TOLERANCES; IONIC LIQUIDS; MOLECULAR DYNAMICS; MOLECULAR MODELING; PHASE SPACE METHODS; POLARIZATION; QUANTUM THEORY; SALTS;

CLASSICAL MOLECULAR DYNAMICS; EFFECTIVE INTERACTIONS; FORCE FIELDS; IMIDAZOLIUM-BASED IONIC LIQUID; MOLECULAR DYNAMICS SIMULATIONS; POLARIZABLE FORCE FIELD; QUANTUM-MECHANICAL CALCULATION; STRUCTURE AND DYNAMICS;

DENSITY OF LIQUIDS;

EID: 84861065538 PISSN: 14394235 EISSN: 14397641 Source Type: Journal
DOI: 10.1002/cphc.201100997 Document Type: Review

Times cited : (245)

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