The Equilibrium Between the Octahedral and Square Pyramidal Form and the Influence of an Axial Ligand on the Molecular Properties of VIVO Complexes: A Spectroscopic and DFT Study

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Vol 16 (27) ◽  
pp. 8167-8180 ◽  
Author(s):  
Serge Gorelsky ◽  
Giovanni Micera ◽  
Eugenio Garribba
Keyword(s):  
Axial Ligand ◽  
Molecular Properties ◽  
Dft Study

FT-IR, FT-Raman spectra and other molecular properties of 3,5-dichlorobenzonitrile: A DFT study

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Vol 116 ◽  
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Author(s):  
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V. Bena Jothy ◽  
Surabhi Singhal ◽  
I. Hubert Joe ◽  
Satendra Kumar ◽  
...  
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Raman Spectra ◽  
Molecular Properties ◽  
Dft Study ◽  
Ft Ir ◽  
Ft Raman

Axial ligand effect on the catalytic activity of biomimetic Fe-porphyrin catalyst: An experimental and DFT study

2016 ◽  
Vol 344 ◽  
pp. 768-777 ◽  
Author(s):  
Konstantinos C. Christoforidis ◽  
Dimitrios A. Pantazis ◽  
Luis L. Bonilla ◽  
Eleni Bletsa ◽  
Maria Louloudi ◽  
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Keyword(s):  
Catalytic Activity ◽  
Axial Ligand ◽  
Dft Study ◽  
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Vol 123 ◽  
pp. 89-97 ◽  
Author(s):  
D. Kattan ◽  
M. Alcolea Palafox ◽  
S. Kumar ◽  
D. Manimaran ◽  
Hubert Joe ◽  
...  
Keyword(s):  
Raman Spectra ◽  
Molecular Properties ◽  
Dft Study ◽  
Ft Ir ◽  
Ft Raman

Fullerene–1,4-dioxane adducts: a DFT study of the structural features and molecular properties

2019 ◽  
Vol 28 (2) ◽  
pp. 154-159 ◽  
Author(s):  
Denis Sh. Sabirov ◽  
Ralia R. Garipova ◽  
Zemfira S. Kinzyabaeva
Keyword(s):  
Structural Features ◽  
Molecular Properties ◽  
Dft Study
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