Investigation of the molecular structure of radical cation of s-trioxane: Quantum chemical calculations and low-temperature EPR results

Radiation Physics and Chemistry

Volumn 67, Issue 3-4, 2003, Pages 237-241

  Janovsky I ^a   Naumov, S ^a   Knolle, W ^a   Mehnert, R ^a  

^a Leibniz Inst O   (Germany)

Author keywords

1,3 Dioxane; DFT calculations; EPR spectra; Radical cations; s Trioxane

Indexed keywords

ELECTRONIC STRUCTURE; POSITIVE IONS; PROBABILITY DENSITY FUNCTION; PROTONS; RADIOLYSIS;

RADICAL CATIONS;

MOLECULAR STRUCTURE;

1,3 DIOXANE DERIVATIVE; 1,3,5 TRIOXANE; ALKANE DERIVATIVE; FREON; PROTON; UNCLASSIFIED DRUG;

CALCULATION; CHEMICAL STRUCTURE; CONFERENCE PAPER; CONFORMATION; ELECTRON SPIN RESONANCE; ELECTRONICS; EQUILIBRIUM CONSTANT; GEOMETRY; LOW TEMPERATURE; MOLECULAR BIOLOGY; QUANTUM CHEMISTRY; RADIOLYSIS; TEMPERATURE DEPENDENCE;

EID: 0037681955     PISSN: 0969806X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0969-806X(03)00044-6     Document Type: Conference Paper

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