Electronically excited and ionized states of the CH2 CH 2 OH radical: A theoretical study

Journal of Chemical Physics

Volumn 132, Issue 11, 2010, Pages

  Karpichev, B ^a,b   Koziol, L ^a   Diri, K ^a   Reisler, H ^a   Krylov, A I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

1-HYDROXYETHYL; BRANCHING RATIO; C-H BOND; COUPLED CLUSTERS; DIHEDRAL ANGLES; DISSOCIATION CHANNELS; ELECTRONIC POTENTIAL-ENERGY; EQUATION OF MOTION COUPLED CLUSTERS; EXCITED ELECTRONIC STATE; IONIZED STATE; ISOMERIZATION PATHWAYS; OH RADICAL; OSCILLATOR STRENGTHS; OXIRANES; PRE-DISSOCIATION; RYDBERG; SADDLE POINT; STABLE CONFORMERS; THEORETICAL STUDY; UNSTABLE STRUCTURES; VALENCE STATE; VERTICAL EXCITATION ENERGY; VERTICAL IONIZATION;

ABSORPTION SPECTROSCOPY; ELECTRON TRANSITIONS; ELECTRONIC STATES; EQUATIONS OF MOTION; FREE RADICALS; GROUND STATE; IONS; ISOMERIZATION; ISOMERS; QUANTUM CHEMISTRY; RYDBERG STATES; TORSIONAL STRESS;

DISSOCIATION;

ALCOHOL; HYDROXYL RADICAL;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; ELECTRON; QUANTUM THEORY;

COMPUTER SIMULATION; ELECTRONS; ETHANOL; HYDROXYL RADICAL; MODELS, CHEMICAL; QUANTUM THEORY;

EID: 77949739166     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3354975     Document Type: Article

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