EPR study of gamma-irradiated single crystal 4-phenylsemicarbazide

Radiation Physics and Chemistry

Volumn 79, Issue 8, 2010, Pages 863-869

  Sayin, U ^a   Turkkan E ^a   Dereli, O ^a   Yuksel H ^a   Birey, M ^b  

^a SELCUK UNIVERSITY   (Turkey)

^b ANKARA UNIVERSITY   (Turkey)

Author keywords

4 phenylsemicarbazide (4PSC); DFT calculations; EPR; G factor; Isotropic hyperfine coupling constant

Indexed keywords

AVERAGE VALUES; B3LYP METHOD; BASIS SETS; CHEMICAL STRUCTURE; CRYSTALLOGRAPHIC AXES; DFT CALCULATION; ELECTRON PARAMAGNETIC RESONANCE; EPR PARAMETERS; EPR STUDIES; EXPERIMENTAL SPECTRA; G FACTORS; HYPERFINE COUPLING CONSTANTS; ISOTROPIC HYPERFINE COUPLING CONSTANT; PARAMAGNETIC SPECIES; PHENYL RINGS; SIMULATED SPECTRA; UNPAIRED ELECTRONS;

CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; ISOMERS; MAGNETIC FIELD EFFECTS; PARAMAGNETIC MATERIALS; PARAMAGNETIC RESONANCE; SULFUR COMPOUNDS;

SINGLE CRYSTALS;

4 PHENYLSEMICARBAZIDE; RADICAL; SEMICARBAZIDE DERIVATIVE; UNCLASSIFIED DRUG;

ANISOTROPY; ARTICLE; CHEMICAL STRUCTURE; CONTROLLED STUDY; CRYSTAL; CRYSTALLOGRAPHY; DENSITY FUNCTIONAL THEORY; ELECTRON; ELECTRON SPIN RESONANCE; GAMMA RADIATION; MAGNETIC FIELD; SIMULATION; TEMPERATURE;

EID: 77952669306     PISSN: 0969806X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.radphyschem.2010.03.016     Document Type: Article

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