Carbon–Hydrogen Activation in Zerovalent Bis(1,5-cyclooctadiene) Complexes of the First Row Transition Metals: A Theoretical Study

2018 ◽  
Vol 122 (12) ◽  
pp. 3280-3286
Author(s):  
Jia Hu ◽  
Hao Feng ◽  
Yaoming Xie ◽  
R. Bruce King ◽  
Henry F. Schaefer
Keyword(s):  
Transition Metals ◽  
Theoretical Study ◽  
Hydrogen Activation

Theoretical Study on Homogeneous Hydrogen Activation Catalyzed by Cationic Ag(I) Complex

2014 ◽  
Vol 33 (22) ◽  
pp. 6577-6584 ◽  
Author(s):  
Yuan-Ye Jiang ◽  
Hai-Zhu Yu ◽  
Yao Fu
Keyword(s):  
Theoretical Study ◽  
Hydrogen Activation

The First Row Transition Metals on Stabilization of Biliverdin Complexes: Theoretical Study

2021 ◽  
Vol 66 (4) ◽  
pp. 516-524
Author(s):  
A. Taghizadeh ◽  
Parisa Rajabali Jamaat ◽  
Maryam Daghighi Asli
Keyword(s):  
Transition Metals ◽  
Theoretical Study

Theoretical study of hydrogen activation in a hematite cluster

1990 ◽  
Vol 62 (2) ◽  
pp. 199-213 ◽  
Author(s):  
L.J. Rodríguez ◽  
F. Ruette ◽  
M. Rosa-Brussin
Keyword(s):  
Theoretical Study ◽  
Hydrogen Activation

Theoretical study of the interaction of ionized transition metals (Cr,Mn,Fe,Co,Ni,Cu) with argon

1990 ◽  
Vol 41 (15) ◽  
pp. 10447-10452 ◽  
Author(s):  
B. L. Hammond ◽  
W. A. Lester ◽  
M. Braga ◽  
C. A. Taft
Keyword(s):  
Transition Metals ◽  
Theoretical Study

Spin-polarized transport in hydrogen-passivated graphene and silicene nanoribbons with magnetic transition-metal substituents

2016 ◽  
Vol 18 (32) ◽  
pp. 22606-22616 ◽  
Author(s):  
A. García-Fuente ◽  
L. J. Gallego ◽  
A. Vega
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Electronic Transport ◽  
Theoretical Study ◽  
Magnetic Transition ◽  
Spin Polarized ◽  
Polarized Transport ◽  
Silicene Nanoribbons ◽  
Spin Polarized Transport

We present a systematic theoretical study of the electronic transport in hydrogen passivated zigzag graphene and silicene nanoribbons with between zero and four neighboring H atoms on one edge replaced by magnetic transition metals (Fe, Co, and Ni).

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