Synthesis, structural interpretation, and DFT study of potentially bioactive metal complexes of acyl thiocarbamides

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Muzzamil Shamshi ◽  
Faiza Asghar
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Metal Complexes ◽  
Dft Study ◽  
Structural Interpretation

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...

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Polyhedron ◽  
2010 ◽  
Vol 29 (13) ◽  
pp. 2722-2730 ◽  
Author(s):  
Sara Farah ◽  
Saïda Ababsa ◽  
Nora Benhamada ◽  
Bachir Zouchoune
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Metal Complexes ◽  
Transition Metal Complexes ◽  
Theoretical Investigation ◽  
Dft Study

An electrochemical and DFT study on selected β-diketiminato metal complexes

2006 ◽  
pp. 2591-2596 ◽  
Author(s):  
Saad K. Ibrahim ◽  
Alexei V. Khvostov ◽  
Michael F. Lappert ◽  
Laurent Maron ◽  
Lionel Perrin ◽  
...  
Keyword(s):  
Metal Complexes ◽  
Dft Study

scholarly journals Splitting of multiple hydrogen molecules by bioinspired diniobium metal complexes: a DFT study

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Felipe Fantuzzi ◽  
Marco Antonio Chaer Nascimento ◽  
Bojana Ginovska ◽  
R. Morris Bullock ◽  
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Keyword(s):  
Metal Complexes ◽  
Quantum Chemical Calculations ◽  
Quantum Chemical ◽  
Dft Study ◽  
Hydrogen Molecules

A novel organometallic platform for activation and splitting of multiple H2 molecules is investigated by quantum chemical calculations.

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