Internal rotation in peroxynitrous acid (ONOOH)

Journal of Chemical Physics

Volumn 122, Issue 13, 2005, Pages

  McGrath, Mark P ^a   Rowland, F Sherwood ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRIC DIPOLE; INTERNAL ROTATION; WAVE FUNCTIONS;

CONFORMATIONS; DATA ACQUISITION; ELECTRONIC STRUCTURE; ENERGY ABSORPTION; GROUND STATE; HARMONIC ANALYSIS; POTENTIAL ENERGY; VIBRATION MEASUREMENT;

CARBOXYLIC ACIDS;

EID: 24144464486     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1867435     Document Type: Article

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97. See EPAPS Document No. E-JCPSA6-122-306513 for tables of electronic energies of ONOOH conformers (Table SI), H2 O, HOOH, and trans ONOH (Table SII); and Fig. without interpolation for the small geometry effect (Fig. S2). A direct link to this document may be found in the online article's HTML reference section. The document may also be reached via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for more information.