Accurate Structure and Bonding Description of the Transition Metal-Disulfur Monoxide Complexes [(PMe3)2M(S2O)] (M= Ni, Pd, Pt): Grimme Dispersion Corrected DFT Study

2013 ◽  
Vol 640 (2) ◽  
pp. 370-379 ◽  
Author(s):  
Krishna K. Pandey ◽  
Sunil K. Patidar ◽  
Pankaj Patidar ◽  
Ravi Vishwakarma ◽  
Pankaj K. Bariya
Keyword(s):  
Transition Metal ◽  
Dft Study ◽  
Structure And Bonding

Endo- and exohedral chloro-fulleride as η5 ligands: A DFT study on the first-row transition metal complexes

2021 ◽  
Author(s):  
Sebastian Anila ◽  
Cherumuttathu Hariharan Suresh
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Dft Study ◽  
C60 Fullerene ◽  
Ring Fusion ◽  
Coordination Modes

C60 fullerene coordinates to transition metals in η2-fashion through its C-C bond at [6,6] ring fusion whereas other coordination modes η3, η4, η5 and η6 are rarely observed. The coordination...

Relativistic DFT Study on the Reaction Mechanism of Second-Row Transition Metal Ru with CO2

2006 ◽  
Vol 110 (10) ◽  
pp. 3552-3558 ◽  
Author(s):  
Xian-Yang Chen ◽  
Yi-Xin Zhao ◽  
Shu-Guang Wang
Keyword(s):  
Reaction Mechanism ◽  
Transition Metal ◽  
Dft Study ◽  
Relativistic Dft

scholarly journals Theoretical Insights into the Catalytic Effect of Transition-Metal Ions on the Aquathermal Degradation of Sulfur-Containing Heavy Oil: A DFT Study of Cyclohexyl Phenyl Sulfide Cleavage

ACS Omega ◽  
2020 ◽  
Vol 5 (31) ◽  
pp. 19589-19597
Author(s):  
Ilya Tverdov ◽  
Nail R. Khafizov ◽  
Timur I. Madzhidov ◽  
Mikhail A. Varfolomeev ◽  
Chengdong Yuan ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Ions ◽  
Heavy Oil ◽  
Catalytic Effect ◽  
Transition Metal Ions ◽  
Dft Study ◽  
Phenyl Sulfide ◽  
Sulfur Containing

Comparison between Alkalimetal and Group 11 Transition Metal Halide and Hydride Tetramers: Molecular Structure and Bonding

2013 ◽  
Vol 117 (33) ◽  
pp. 8026-8034 ◽  
Author(s):  
Majid El-Hamdi ◽  
Miquel Solà ◽  
Gernot Frenking ◽  
Jordi Poater
Keyword(s):  
Molecular Structure ◽  
Transition Metal ◽  
Metal Halide ◽  
Structure And Bonding
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