Optimizing Electron Densities of Ni‐N‐C Complexes by Hybrid Coordination for Efficient Electrocatalytic CO 2 Reduction

ChemSusChem ◽  
2020 ◽  
Vol 13 (5) ◽  
pp. 929-937 ◽  
Author(s):  
Zhong‐Li Wang ◽  
Jaecheol Choi ◽  
Mingquan Xu ◽  
Xianfeng Hao ◽  
Hao Zhang ◽  
...  
Keyword(s):  
Electron Densities ◽  
Hybrid Coordination

scholarly journals Accuracy of electron densities obtained via Koopmans-compliant hybrid functionals

2018 ◽  
Vol 2 (4) ◽  
Author(s):  
A. R. Elmaslmane ◽  
J. Wetherell ◽  
M. J. P. Hodgson ◽  
K. P. McKenna ◽  
R. W. Godby
Keyword(s):  
Electron Densities ◽  
Hybrid Functionals

Molecular fingerprints based on Jacobi expansions of electron densities

2021 ◽  
Vol 140 (2) ◽  
Author(s):  
Rafael López ◽  
Frank Martínez ◽  
José Manuel García de la Vega
Keyword(s):  
Electron Densities ◽  
Molecular Fingerprints ◽  
Jacobi Expansions

Visualization of two-body electron densities and wave functions of magnetic molecules

1999 ◽  
Vol 75 (4-5) ◽  
pp. 645-654 ◽  
Author(s):  
D. Yamaki ◽  
Y. Kitagawa ◽  
H. Nagao ◽  
M. Nakano ◽  
Y. Yoshioka ◽  
...  
Keyword(s):  
Wave Functions ◽  
Electron Densities ◽  
Magnetic Molecules

λ21-cm Interstellar HI Profiles, Critical Ionization Velocities, and Derived Electron Densities

2021 ◽  
pp. 1-10
Author(s):  
Gerrit L. Verschuur ◽  
Joan T. Schmelz ◽  
Mahboubeh Asgari-Targhi
Keyword(s):  
Electron Densities

scholarly journals EDGE ASYMPTOTICS OF PLANAR ELECTRON DENSITIES

1994 ◽  
Vol 08 (11n12) ◽  
pp. 1625-1638 ◽  
Author(s):  
GERALD V. DUNNE
Keyword(s):  
Asymptotic Expansion ◽  
Magnetic Flux ◽  
Landau Level ◽  
Particle Number ◽  
Landau Levels ◽  
Electron Densities ◽  
Boundary Location ◽  
Boundary Characteristics ◽  
Planar Electron

The N→∞ limit of the edges of finite planar electron densities is discussed for higher Landau levels. For full filling, the particle number is correlated with the magnetic flux, and hence with the boundary location, making the N→∞ limit more subtle at the edges than in the bulk. In the nth Landau level, the density exhibits n distinct steps at the edge, in both circular and rectangular samples. The boundary characteristics for individual Landau levels, and for successively filled Landau levels, are computed in an asymptotic expansion.

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