Molecular modeling of the pendant chain in Nafion®

Solid State Ionics

Volumn 113-115, Issue , 1998, Pages 333-340

  Paddison, Stephen J ^a   Zawodzinski Jr , Thomas A ^a  

^a LOS ALAMOS NATIONAL LABORATORY   (United States)

Author keywords

Electronic structure calculations; Ion transport; Molecular dynamics; Molecular modeling; Nafion ; Solvation; Water

Indexed keywords

COMPUTER SIMULATION; CONFORMATIONS; ELECTRONIC STRUCTURE; ELECTROSTATICS; FREE ENERGY; INTERFACIAL ENERGY; IONIC CONDUCTION IN SOLIDS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; POLYMERIC MEMBRANES; PROTONS; WATER;

BECKE'S THREE PARAMETER HYBRID METHOD; DENSITY FUNCTIONAL THEORY; HARTREE FOCK THEORY; MOLLER-PLESSET ELECTRON CORRELATION CORRECTIONS; SOLVATION;

FLUORINE CONTAINING POLYMERS;

EID: 0032310050     PISSN: 01672738     EISSN: None     Source Type: Journal    
DOI: 10.1016/s0167-2738(98)00298-7     Document Type: Article

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