Temperature and isotope effects on water cluster ions with path integral molecular dynamics based on the fourth order Trotter expansion

Journal of Chemical Physics

Volumn 129, Issue 14, 2008, Pages

  Suzuki, Kimichi ^a,b   Shiga, Motoyuki ^a,c   Tachikawa, Masanori ^a,b  

^a YOKOHAMA CITY UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CARRIER MOBILITY; HYDROGEN; HYDROGEN BONDS; ISOTOPES; MOLECULAR DYNAMICS; NONMETALS; OXYGEN; PROTON TRANSFER; PROTONS; QUANTUM CHEMISTRY; QUANTUM THEORY;

BONDED HYDROGENS; BONDED STRUCTURES; FOURTH ORDERS; HIGH TEMPERATURES; ISOTOPE EFFECTS; ISOTOPOMER; LOW TEMPERATURES; MOLECULAR DYNAMICS SIMULATIONS; OXYGEN ATOMS; PATH INTEGRALS; STRETCHING MODES; TEMPERATURE DEPENDENCES; WATER CLUSTERS;

DYNAMICS;

EID: 54949103251     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2987445     Document Type: Article

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