Path-integral molecular dynamics simulations for water anion clusters (H2 O)5- and (D2 O)5-

Chemical Physics Letters

Volumn 482, Issue 4-6, 2009, Pages 195-200

  Takayanagi, Toshiyuki ^a   Yoshikawa, Takehiro ^a   Motegi, Haruki ^a   Shiga, Motoyuki ^b  

^a SAITAMA UNIVERSITY   (Japan)

^b JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ANION CLUSTERS; NUCLEAR QUANTUM EFFECTS; PATH-INTEGRAL MOLECULAR DYNAMICS; POLARIZATION MODELS; PSEUDOPOTENTIALS; SEMI-EMPIRICAL; VERTICAL DETACHMENT ENERGIES; VIBRATIONAL AMPLITUDES; ZERO-POINT;

IONS; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; QUANTUM ELECTRONICS;

SIMULATORS;

EID: 72249087939     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.09.107     Document Type: Article

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