supported clusters
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Nanoscale ◽  
2019 ◽  
Vol 11 (18) ◽  
pp. 9042-9052 ◽  
Author(s):  
Marc Jäger ◽  
Rolf Schäfer ◽  
Roy L. Johnston

We present a versatile parallelised genetic algorithm, which is able to perform global optimisation from first principles for pure and mixed free clusters in the gas phase, supported on surfaces or in the presence of one or several atomic or molecular species (ligands or adsorbates).


2017 ◽  
Vol 130 (5) ◽  
pp. 1223-1227 ◽  
Author(s):  
Fabio R. Negreiros ◽  
Avik Halder ◽  
Chunrong Yin ◽  
Akansha Singh ◽  
Giovanni Barcaro ◽  
...  

2017 ◽  
Vol 57 (5) ◽  
pp. 1209-1213 ◽  
Author(s):  
Fabio R. Negreiros ◽  
Avik Halder ◽  
Chunrong Yin ◽  
Akansha Singh ◽  
Giovanni Barcaro ◽  
...  

2017 ◽  
Vol 23 (56) ◽  
pp. 14073-14079 ◽  
Author(s):  
Marco Coletta ◽  
Ross McLellan ◽  
Sergio Sanz ◽  
Kevin J. Gagnon ◽  
Simon J. Teat ◽  
...  

2017 ◽  
Vol 41 (2) ◽  
pp. 427-431 ◽  
Author(s):  
K. Boukebbous ◽  
N. Merle ◽  
C. Larabi ◽  
A. Garron ◽  
W. Darwich ◽  
...  

Mesitylcopper reacts with silica to give supported clusters, then reduced to nanoparticles. These catalysts allow the selective hydrogenation of 2,3-dimethylbutadiene to 2,3-dimethyl-1-butene. Materials were characterized in detail.


2016 ◽  
Vol 120 (12) ◽  
pp. 6534-6542 ◽  
Author(s):  
Fatemeh R. Rahsepar ◽  
K. T. Leung

2016 ◽  
Vol 52 (99) ◽  
pp. 14246-14249 ◽  
Author(s):  
Marco Coletta ◽  
Ross McLellan ◽  
Amy Waddington ◽  
Sergio Sanz ◽  
Kevin J. Gagnon ◽  
...  

Stoichiometric control allows for remarkable expansion of the cores of two known bis-calix[4]arene-supported clusters, with concomitant changes to the magnetic properties.


ChemInform ◽  
2015 ◽  
Vol 46 (47) ◽  
pp. no-no ◽  
Author(s):  
Pascal Andreazza ◽  
Veronique Pierron-Bohnes ◽  
Florent Tournus ◽  
Caroline Andreazza-Vignolle ◽  
Veronique Dupuis

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