DFT calculations of magnetic parameters for molybdenum complexes and hydroxymethyl intermediates trapped on silica surface

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 63, Issue 4, 2006, Pages 788-794

  Sojka, Zbigniew ^a,b   Pietrzyk, Piotr ^a  

^a JAGIELLONIAN UNIVERSITY   (Poland)

^b Regional Laboratory of Physicochemical Analyses and Structural Research   (Poland)

Author keywords

Catalyst; CH2OH; DFT; EPR; g Tensor; HFCC; Molybdenum; Silica; ZORA

Indexed keywords

COMPLEXATION; PARAMAGNETIC RESONANCE; PROBABILITY DENSITY FUNCTION; SILICA;

CH2OH; G TENSOR; HFCC; ZORA;

MOLYBDENUM COMPOUNDS;

MOLYBDENUM; SILICON DIOXIDE;

ARTICLE; CATALYSIS; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; ELECTRON SPIN RESONANCE; HYDROGEN BOND; MAGNETISM; STRUCTURE ACTIVITY RELATION;

CATALYSIS; ELECTRON SPIN RESONANCE SPECTROSCOPY; HYDROGEN BONDING; MAGNETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLYBDENUM; SILICON DIOXIDE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33644910688     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2005.10.029     Document Type: Article

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