Solvation of the azide anion (N3-) in water clusters and aqueous interfaces: A Combined investigation by photoelectron spectroscopy, density functional calculations, and molecular dynamics simulations

Journal of Physical Chemistry A

Volumn 108, Issue 39, 2004, Pages 7820-7826

  Yang, Xin ^b   Kiran, Boggavarapu ^b   Wang, Xue Bin ^b   Wang, Lai Sheng ^b   Mucha, Martin ^a   Jungwirth, Pavel ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

^b NONE

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; HYDRATION; INTERFACES (MATERIALS); PHOTOELECTRON SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; SOLVENTS; SPECTRUM ANALYSIS; VACUUM;

AZIDE ANIONS; MOLECULAR LEVELS; SOLVATION; SOLVENT RELAXATION;

MOLECULAR DYNAMICS;

EID: 6344270251     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0496396     Document Type: Article

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