Photoionization-induced water migration in the hydrated trans-formanilide cluster cation revealed by gas-phase spectroscopy and Ab initio molecular dynamics simulation

Journal of Physical Chemistry A

Volumn 116, Issue 15, 2012, Pages 3816-3823

  Ikeda, Takamasa ^a   Sakota, Kenji ^a   Kawashima, Yukio ^a   Shimazaki, Yuiga ^a   Sekiya, Hiroshi ^a  

^a KYUSHU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO MOLECULAR DYNAMICS SIMULATION; CHARGE-DIPOLE INTERACTION; CLUSTER CATIONS; CO-GROUP; GAS PHASE SPECTROSCOPY; H-BONDED; IR SPECTRUM; LONE PAIR; MASS CHANNELS; NH GROUPS; QUANTUM CHEMICAL CALCULATIONS; STRUCTURAL CHANGE; STRUCTURAL ISOMERS; THEORETICAL CALCULATIONS; WATER DIMERS; WATER MIGRATION; WATER MOLECULE;

CALCULATIONS; DIMERS; GAS HYDRATES; ISOMERS; MOLECULAR DYNAMICS; MOLECULES; QUANTUM CHEMISTRY;

PHOTOIONIZATION;

EID: 84860121935     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp301804w     Document Type: Article

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