Theoretical study of the icosahedral to cuboctahedral structural transition in Rh and Pd clusters

2000 ◽  
Vol 11 (3) ◽  
pp. 395-402 ◽  
Author(s):  
C. Barreteau ◽  
M.C. Desjonquères ◽  
D. Spanjaard
Keyword(s):  
Structural Transition ◽  
Theoretical Study ◽  
Pd Clusters

scholarly journals Theoretical Study of Ripening Mechanisms of Pd Clusters on Ceria

2017 ◽  
Vol 29 (21) ◽  
pp. 9456-9462 ◽  
Author(s):  
Ya-Qiong Su ◽  
Jin-Xun Liu ◽  
Ivo A. W. Filot ◽  
Emiel J. M. Hensen
Keyword(s):  
Theoretical Study ◽  
Pd Clusters

The CO oxidation mechanism on small Pd clusters. A theoretical study

2015 ◽  
Vol 21 (11) ◽  
Author(s):  
Julio César González-Torres ◽  
Virineya Bertin ◽  
Enrique Poulain ◽  
Oscar Olvera-Neria
Keyword(s):  
Co Oxidation ◽  
Theoretical Study ◽  
Oxidation Mechanism ◽  
Pd Clusters ◽  
Co Oxidation Mechanism

Theoretical study of CO2 hydrogenation to methanol on isolated small Pd clusters

2019 ◽  
Vol 35 ◽  
pp. 79-87 ◽  
Author(s):  
Adhitya G. Saputro ◽  
Refaldi I.D. Putra ◽  
Arifin L. Maulana ◽  
Muhammad U. Karami ◽  
Mochamad R. Pradana ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Co2 Hydrogenation ◽  
Pd Clusters

Adsorption of carbon on Pd clusters of nanometer size: A first-principles theoretical study

2005 ◽  
Vol 122 (17) ◽  
pp. 174705 ◽  
Author(s):  
Konstantin M. Neyman ◽  
Chan Inntam ◽  
Alexei B. Gordienko ◽  
Ilya V. Yudanov ◽  
Notker Rösch
Keyword(s):  
First Principles ◽  
Theoretical Study ◽  
Nanometer Size ◽  
Pd Clusters

The catalytic CO oxidative coupling to dimethyl oxalate on Pd clusters anchored on defected graphene: A theoretical study

2018 ◽  
Vol 453 ◽  
pp. 100-112 ◽  
Author(s):  
Lixia Ling ◽  
Xue Feng ◽  
Yueting Cao ◽  
Ping Liu ◽  
Maohong Fan ◽  
...  
Keyword(s):  
Oxidative Coupling ◽  
Theoretical Study ◽  
Dimethyl Oxalate ◽  
Pd Clusters ◽  
Defected Graphene

Structure and magnetism of the solid solution GexFe4−xNy (0 ≤ x ≤ 1): from a ferromagnet to a spin glass

2017 ◽  
Vol 5 (1) ◽  
pp. 166-175 ◽  
Author(s):  
T. Scholz ◽  
R. Dronskowski
Keyword(s):  
Solid Solution ◽  
Spin Glass ◽  
Structural Transition ◽  
Theoretical Study ◽  
Magnetic Transition ◽  
Tetragonal System ◽  
Germanium Concentration

The experimental and theoretical study of the solid solution GexFe4−xNy (0 ≤ x ≤ 1) reveals a structural transition from the cubic to the tetragonal system as well as a magnetic transition from a ferromagnet to a spin glass accompanying the increasing germanium concentration.

scholarly journals Theoretical study of the partial molar volume change associated with the pressure-induced structural transition of ubiquitin

2007 ◽  
Vol 16 (9) ◽  
pp. 1927-1933 ◽  
Author(s):  
Takashi Imai ◽  
Shusaku Ohyama ◽  
Andriy Kovalenko ◽  
Fumio Hirata
Keyword(s):  
Molar Volume ◽  
Partial Molar Volume ◽  
Volume Change ◽  
Structural Transition ◽  
Theoretical Study
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