Can theory quantitatively model stratospheric photolysis? Ab initio estimate of absolute absorption cross sections of ClOOCl

Journal of Chemical Physics

Volumn 133, Issue 17, 2010, Pages

  Ončák, Milan ^a   Scistik, Lukas ^a   Slavíček, Petr ^a  

^a INSTITUTE OF CHEMICAL TECHNOLOGY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ABSORPTION CROSS SECTIONS; ABSORPTION MAXIMA; BASIS SETS; BLUE SHIFT; CAS-SCF; CLASSICAL MOLECULAR DYNAMICS; COMPLETE ACTIVE SPACE; CONFIGURATION INTERACTIONS; FULL REFLECTION; GROUND-STATE DENSITY; HARMONIC APPROXIMATION; LOW ENERGIES; MOLECULAR GEOMETRIES; MULTIREFERENCE METHODS; PATH-INTEGRAL MOLECULAR DYNAMICS; QUANTITATIVE PREDICTION; REFERENCE METHOD; SMALL MOLECULES; SPECTRAL RANGE; TRANSITION DIPOLE MOMENTS;

ABSORPTION; ELECTRONIC STRUCTURE; EXCITED STATES; GROUND STATE; LIGHT ABSORPTION; MOLECULAR DYNAMICS; MOLECULAR VIBRATIONS; PHOTOLYSIS; REFLECTION;

ABSORPTION SPECTROSCOPY;

EID: 78650658434     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3499599     Document Type: Article

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