Ab initio determination of the ionization potentials of water clusters (H 2O) n (n 2-6)

Journal of Chemical Physics

Volumn 136, Issue 24, 2012, Pages

  Segarra Martí, Javier ^a   Merchán, Manuela ^a   Roca Sanjuán, Daniel ^b  

^a UNIVERSITY OF VALENCIA   (Spain)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ADIABATIC IONIZATION POTENTIAL; COMPUTATIONAL STRATEGY; COUPLED CLUSTERS; EXPERIMENTAL DATA; HEXAMERS; LIQUID WATER; PENTAMERS; PERTURBATION METHOD; REDUCTIVE PROPERTY; REFERENCE VALUES; SYSTEMATIC STUDY; TETRAMERS; WATER CLUSTER;

DIMERS; QUANTUM CHEMISTRY;

IONIZATION POTENTIAL;

EID: 84863527104     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4730301     Document Type: Article

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