Influence of dynamics on the structure and NMR chemical shift of a zeolite precursor

Journal of Physical Chemistry B

Volumn 107, Issue 24, 2003, Pages 5728-5732

  Krishnamurty, Sailaja ^a   Heine, Thomas ^b,c   Goursot, Annick ^a  

^a LABORATOIRE DE MATÉRIAUX CATALYTIQUES ET CATALYSE EN CHIMIE ORGANIQUE   (France)

^b UNIVERSITY OF GENEVA   (Switzerland)

^c DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CONFORMATIONS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; WATER;

BORN-OPPENHEIMER MOLECULAR DYNAMICS; DENSITY FUNCTIONAL THEORY;

ZEOLITES;

EID: 0038237995     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022686i     Document Type: Article

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