A Density Functional Theory Study on the Ligand Substitution Mechanism of a Square Planar Pd Complex

2016 ◽  
Vol 37 (7) ◽  
pp. 1057-1063 ◽  
Author(s):  
Ji Eun Park ◽  
Youn Kyung Kang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Ligand Substitution ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Square Planar ◽  
Substitution Mechanism

MoS2 supported single platinum atoms and their superior catalytic activity for CO oxidation: a density functional theory study

2015 ◽  
Vol 3 (46) ◽  
pp. 23113-23119 ◽  
Author(s):  
Chunmiao Du ◽  
Haiping Lin ◽  
Bin Lin ◽  
Zeyao Ma ◽  
Tingjun Hou ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Catalytic Activity ◽  
Co Oxidation ◽  
Density Functional ◽  
Platinum Atom ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Square Planar

The formation of a square-planar 16-electron complex during CO oxidation on a MoS2 supported single platinum atom catalyst.

Density Functional Theory Study of Substitution at the Square-Planar Acetylacetonato-dicarbonyl-rhodium(I) Complex

2009 ◽  
Vol 28 (13) ◽  
pp. 3710-3715 ◽  
Author(s):  
Kathrin Helen Hopmann ◽  
Jeanet Conradie
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Square Planar

A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

2010 ◽  
Vol 31 (1) ◽  
pp. 49-55
Author(s):  
Zhanhong CHEN ◽  
Kaining DING ◽  
Xianglan XU ◽  
Junqian LI
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

2017 ◽  
Vol 121 (49) ◽  
pp. 27445-27452 ◽  
Author(s):  
Yusuke Nanba ◽  
Takayoshi Ishimoto ◽  
Michihisa Koyama
Keyword(s):  
Density Functional Theory ◽  
Structural Stability ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Ruthenium Nanoparticles ◽  
Functional Theory

Density Functional Theory Study on Electronic and Magnetic Properties of Mn‐Doped (MgO)n (n=2–10) Clusters

2013 ◽  
Vol 26 (1) ◽  
pp. 35-42 ◽  
Author(s):  
Peng Wang ◽  
Ming‐xia Yang ◽  
Sheng‐li Zhang ◽  
Shi‐ping Huang ◽  
Hui‐ping Tian
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Electronic And Magnetic Properties ◽  
Mn Doped
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