Origin of Ligand Effects on Stereoinversion in Pd-Catalyzed Synthesis of Tetrasubstituted Olefins

2021 ◽  
Author(s):  
Lingfei Hu ◽  
Han Gao ◽  
Yanlei Hu ◽  
Xiangying Lv ◽  
Yan-Bo Wu ◽  
...  
Keyword(s):  
Ligand Effects ◽  
Tetrasubstituted Olefins

Determination of interdependent ligand effects on human red cell oxygen affinity

1982 ◽  
Vol 42 (4) ◽  
pp. 339-345
Author(s):  
W. G. Zijlstra ◽  
B. Oeseburg ◽  
G. Kwant ◽  
A. Zwart
Keyword(s):  
Oxygen Affinity ◽  
Red Cell ◽  
Ligand Effects

scholarly journals Cover Feature: Precursor Nuclearity and Ligand Effects in Atomically‐Dispersed Heterogeneous Iron Catalysts for Alkyne Semi‐Hydrogenation (ChemCatChem 14/2021)

ChemCatChem ◽  
2021 ◽  
Vol 13 (14) ◽  
pp. 3199-3199
Author(s):  
Dario Faust Akl ◽  
Andrea Ruiz‐Ferrando ◽  
Edvin Fako ◽  
Roland Hauert ◽  
Olga Safonova ◽  
...  
Keyword(s):  
Iron Catalysts ◽  
Ligand Effects

scholarly journals A Comparative Study of Oxygen and Hydrogen Adsorption on Strained and Alloy-Supported Pt(111) Monolayers

2021 ◽  
Vol 7 (7) ◽  
pp. 101
Author(s):  
Ian Shuttleworth
Keyword(s):  
Comparative Study ◽  
Density Functional ◽  
Hydrogen Adsorption ◽  
Binding Energies ◽  
High Symmetry ◽  
Density Functionals ◽  
Functional Theory ◽  
Ligand Effects ◽  
Ferromagnetic Alloys ◽  
Depth Study

A comparative study of the unreacted and reacted uniaxially strained Pt(111) and the layered (111)-Pt/Ni/Pt3Ni and (111)-Pt/Ni/PtNi3 surfaces has been performed using density functional theory (DFT). An in-depth study of the unreacted surfaces has been performed to evaluate the importance of geometric, magnetic and ligand effects in determining the reactivity of these different Pt surfaces. An analysis of the binding energies of oxygen and hydrogen over the high-symmetry binding positions of all surfaces has been performed. The study has shown that O and H tend to bind more strongly to the (111)-Pt/Ni/Pt3Ni surface and less strongly to the (111)-Pt/Ni/PtNi3 surface compared to binding on the equivalently strained Pt(111) surfaces. Changes in the surface magnetisation of the surfaces overlaying the ferromagnetic alloys during adsorption are discussed, as well as the behaviour of the d-band centre across all surfaces, to evaluate the potential mechanisms for these differences in binding. An accompanying comparison of the accessible density functionals has been included to estimate the error in the computational binding energies.

scholarly journals Front Cover: Ligand Effects in Carbon−Boron Coupling Processes Mediated by σ‐BH Platinum Complexes (Eur. J. Inorg. Chem. 35/2021)

2021 ◽  
Vol 2021 (35) ◽  
pp. 3517-3517
Author(s):  
Pablo Ríos ◽  
Francisco José Fernández‐de‐Córdova ◽  
Javier Borge ◽  
Natalia Curado ◽  
Agustí Lledós ◽  
...  
Keyword(s):  
Platinum Complexes ◽  
Front Cover ◽  
Ligand Effects ◽  
Coupling Processes

ChemInform Abstract: LIGAND EFFECTS IN METATHESIS OF OLEFINS WITH ZEROVALENT COMPLEXES OF TUNGSTEN

1978 ◽  
Vol 9 (4) ◽  
Author(s):  
J. L. BILHOU ◽  
R. MUTIN ◽  
M. LECONTE ◽  
J. M. BASSET
Keyword(s):  
Ligand Effects
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