Paramagnetic species on catalytic surfaces - DFT investigations into structure sensitivity of the hyperfine coupling constants

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 60, Issue 6, 2004, Pages 1257-1265

  Sojka, Zbigniew ^a   Pietrzyk, Piotr ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

CH2OH radical; Cu ZSM 5; DFT; EPR; Hyperfine coupling constants; Nitric oxide

Indexed keywords

ALCOHOLS; ANISOTROPY; CATALYSTS; HYDROGEN BONDS; ISOMERS; QUANTUM THEORY; SILICA; ZEOLITES;

CH2OH RADICAL; CU-ZSM-5; HYPERFINE COUPLING CONSTANTS; NITRIC OXIDES;

PARAMAGNETIC MATERIALS;

CARBON; COPPER; NITROGEN; OXYGEN; PROTON; SILICON DIOXIDE; ZEOLITE;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON SPIN RESONANCE; HYDROGEN BOND; MATHEMATICS; QUANTUM THEORY; SENSITIVITY AND SPECIFICITY; STRUCTURE ACTIVITY RELATION; SURFACE PROPERTY; THEORETICAL MODEL;

CARBON ISOTOPES; CATALYSIS; COPPER; ELECTRON SPIN RESONANCE SPECTROSCOPY; HYDROGEN BONDING; MATHEMATICS; MODELS, CHEMICAL; MODELS, MOLECULAR; MODELS, THEORETICAL; NITROGEN; OXYGEN; PROTONS; QUANTUM THEORY; SENSITIVITY AND SPECIFICITY; SILICON DIOXIDE; STRUCTURE-ACTIVITY RELATIONSHIP; SURFACE PROPERTIES; ZEOLITES;

EID: 2342479748     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2003.10.043     Document Type: Conference Paper

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