Calculated electronic transitions of the water ammonia complex

Journal of Chemical Physics

Volumn 128, Issue 3, 2008, Pages

  Lane, Joseph R ^a   Vaida, Veronica ^b   Kjaergaard, Henrik G ^a,c  

^a UNIVERSITY OF OTAGO   (New Zealand)

^b UNIVERSITY OF COLORADO   (United States)

^c AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTRA; AMMONIA; CLUSTER ANALYSIS; COMPLEXATION; EXCITATION ENERGY; MONOMERS; PHASE TRANSITIONS; PHOTODISSOCIATION;

ELECTRONIC TRANSITIONS; OSCILLATOR STRENGTHS; PHOTODISSOCIATIVE STATES;

WATER;

EID: 38349188164     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2814163     Document Type: Article

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81. See EPAPS Document No. E-JCPSA6-127-304746 for the experimental and CCSD(T)/AVXZ (X=D-5) calculated geometries of the monomers, calculated vertical excitation energies represented in Figs. in the paper and a figure of the electronic transitions in water, ammonia, and the complex. This document can be reached through a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html).