scholarly journals Studies on transition metals and alloy Fischer-Tropsch catalysts, their electronic and bulk properties. (I: Fe/MnO; II: Fe/TiO/sub 2/; III: Fe/Mord. ). Final report, July 1, 1982-September 30, 1983

1983 ◽  
Author(s):  
L.N. Mulay
Keyword(s):  
Transition Metals ◽  
Final Report ◽  
Fischer Tropsch ◽  
Bulk Properties

Establishing the Accuracy of Broadly Used Density Functionals in Describing Bulk Properties of Transition Metals

2013 ◽  
Vol 9 (3) ◽  
pp. 1631-1640 ◽  
Author(s):  
Patanachai Janthon ◽  
Sergey M. Kozlov ◽  
Francesc Viñes ◽  
Jumras Limtrakul ◽  
Francesc Illas
Keyword(s):  
Transition Metals ◽  
Density Functionals ◽  
Bulk Properties

Modelling of the catalytic Fischer-Tropsch synthesis by pattern recognition. Chemisorption and dissociation of carbon monoxide on metals

1981 ◽  
Vol 46 (10) ◽  
pp. 2336-2344 ◽  
Author(s):  
Oldřich Štrouf ◽  
Karel Kuchynka ◽  
Jiří Fusek
Keyword(s):  
Pattern Recognition ◽  
Carbon Monoxide ◽  
Transition Metals ◽  
Dimensionality Reduction ◽  
Fischer Tropsch ◽  
Chemical Significance ◽  
Physico Chemical ◽  
Dependent Variables ◽  
Physical Importance ◽  
Weakly Dependent

A set of forty nine metals was classified with respect to chemisorption of carbon monoxide and a set of nineteen transition metals was similarly treated with respect to dissociation of the chemisorbed molecule. In both cases the metals were characterized by a set of fifteen variables of basic physical importance. Dimensionality reduction yielded eight linearly weakly dependent variables related to chemisorption of CO whereas the reduced set for dissociation had four parameters only. The physico-chemical significance of the characterizing linearly weakly dependent variables is discussed.

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