scholarly journals Towards quantifying the role of exact exchange in predictions of transition metal complex properties

2015 ◽  
Vol 143 (3) ◽  
pp. 034104 ◽  
Author(s):  
Efthymios I. Ioannidis ◽  
Heather J. Kulik
Keyword(s):  
Transition Metal ◽  
Metal Complex ◽  
Transition Metal Complex ◽  
Exact Exchange

The effect of auxiliary ligand on the mechanism and reactivity: DFT study on H2 activation by Lewis acid–transition metal complex (tris(phosphino)borane)Fe(L)

2017 ◽  
Vol 7 (20) ◽  
pp. 4866-4878 ◽  
Author(s):  
Jianyu Zhang ◽  
Jiasheng Lin ◽  
Yinwu Li ◽  
Youxiang Shao ◽  
Xiao Huang ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complex ◽  
Lewis Acid ◽  
Crucial Role ◽  
Transition Metal Complex ◽  
Dft Study ◽  
Dft Studies ◽  
Auxiliary Ligand ◽  
Hydrogen Activation

The crucial role of the auxiliary ligand in hydrogen activation is revealed by DFT studies for the LA–TM ferraboratrane complex.

A transition metal complex containing pyrazine-2,5-dicarboxylato bridging ligands: a novel three-dimensional manganese(II) compound

2003 ◽  
Vol 6 (9) ◽  
pp. 1224-1227 ◽  
Author(s):  
Garikoitz Beobide ◽  
Oscar Castillo ◽  
Antonio Luque ◽  
Urko Garcı́a-Couceiro ◽  
Juan P. Garcı́a-Teran ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complex ◽  
Transition Metal Complex ◽  
Three Dimensional ◽  
Bridging Ligands
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