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Volumn 326, Issue 1-4, 2003, Pages 68-71
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Orientation and binding of cyclohexadienyl radical in NaY zeolite - Computational study and comparison with benzene
a,c b |
Author keywords
Density functional theory; Hartree Fock Theory; Radicals; Zeolites
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Indexed keywords
BINDING ENERGY;
COMPLEXATION;
CRYSTAL DEFECTS;
ELECTROSTATICS;
ORGANOMETALLICS;
PROBABILITY DENSITY FUNCTION;
ISOTROPIC DIFFUSIONAL MOTION;
ZEOLITES;
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EID: 0037301942
PISSN: 09214526
EISSN: None
Source Type: Journal
DOI: 10.1016/S0921-4526(02)01578-8 Document Type: Article |
Times cited : (5)
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References (16)
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