Small Transition-Metal Mixed Clusters as Activators of the C–O Bond. FenCum–CO (n + m = 6): A Theoretical Approach

2021 ◽  
Author(s):  
Patricio Limon ◽  
Alan Miralrio ◽  
Rodolfo Gómez-Balderas ◽  
Miguel Castro
Keyword(s):  
Transition Metal ◽  
Theoretical Approach ◽  
Mixed Clusters

scholarly journals Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies

2018 ◽  
Vol 9 (33) ◽  
pp. 6813-6829 ◽  
Author(s):  
Markus Kubin ◽  
Meiyuan Guo ◽  
Thomas Kroll ◽  
Heike Löchel ◽  
Erik Källman ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Oxidation State ◽  
Transition Metal Complexes ◽  
Theoretical Approach ◽  
X Ray ◽  
Local Charge ◽  
X Ray Absorption ◽  
Spin Densities

A combined experimental and theoretical approach reveals correlations of metal L-edge X-ray absorption energies to local charge and spin densities.

Exploring solvent dependent catecholase activity in transition metal complexes: an experimental and theoretical approach

2020 ◽  
Vol 44 (4) ◽  
pp. 1371-1388
Author(s):  
Mantasha I. ◽  
M. Shahid ◽  
Manjeet Kumar ◽  
Azaj Ansari ◽  
Muhammad Nadeem Akhtar ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Theoretical Approach ◽  
Coordination Compounds ◽  
X Ray ◽  
Catecholase Activity

Four coordination compounds are designed with pyridinemethanol ligands, characterized with spectral, magnetic and X-ray analyses, and assessed for catecholase activity in various solvents.

Integrated Experimental–Theoretical Approach To Determine Reliable Molecular Reaction Mechanisms on Transition-Metal Oxide Surfaces

2019 ◽  
Vol 11 (33) ◽  
pp. 30460-30469
Author(s):  
Nickolas Ashburn ◽  
Yongping Zheng ◽  
Sampreetha Thampy ◽  
Sean Dillon ◽  
Yves J. Chabal ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Oxide ◽  
Theoretical Approach ◽  
Reaction Mechanisms ◽  
Transition Metal Oxide ◽  
Oxide Surfaces ◽  
Metal Oxide Surfaces ◽  
Molecular Reaction
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