Dipole moment of water molecules in narrow pores

Computer Physics Communications

Volumn 169, Issue 1-3, 2005, Pages 36-39

  Dellago, Christoph ^a   Naor, Mor M ^b  

^a INSTITUT FÜR EXPERIMENTALPHYSIK   (Austria)

^b E11 SSH   (United States)

Author keywords

Density functional theory; Molecular dynamics simulation; Proton transfer

Indexed keywords

CARBON NANOTUBES; COMPUTER SIMULATION; CRYSTAL ORIENTATION; DEFECTS; FREE ENERGY; FUNCTIONS; HYDROGEN BONDS; ONE DIMENSIONAL; WATER;

DENSITY FUNCTIONAL THEORY; DIPOLE MOMENTS; MOLECULAR DYNAMICS SIMULATION; PROTON TRANSFER;

MOLECULAR DYNAMICS;

EID: 21244448803     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2005.03.010     Document Type: Conference Paper

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