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Volumn 6, Issue 9, 2005, Pages 1879-1883
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Car-Parrinello molecular dynamics study of DCl hydrate crystals
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Author keywords
Density functional calculations; Eigen ions; Hydrates; Molecular dynamics; Zundel ions
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Indexed keywords
DENSITY FUNCTIONAL THEORY;
HYDRATES;
HYDRATION;
IONS;
MOLECULAR DYNAMICS;
CAR-PARRINELLO MOLECULAR-DYNAMICS;
DIHYDRATES;
FLUID CONDITIONS;
LIQUID SIMULATIONS;
LOW TEMPERATURES;
STRETCHING BANDS;
ZUNDEL IONS;
CHLORINE COMPOUNDS;
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EID: 24944465167
PISSN: 14394235
EISSN: None
Source Type: Journal
DOI: 10.1002/cphc.200400588 Document Type: Article |
Times cited : (12)
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References (27)
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