scholarly journals Topological Index as Applied to π-Electronic Systems. IV. On the Topological Factors Causing Non-Uniform π-Electron Charge Distribution in Non-Alternant Hydrocarbons

1976 ◽  
Vol 49 (7) ◽  
pp. 1811-1816 ◽  
Author(s):  
Ivan Gutman ◽  
Tamië Yamaguchi ◽  
Haruo Hosoya
Keyword(s):  
Charge Distribution ◽  
Topological Index ◽  
Electronic Systems ◽  
Electron Charge ◽  
Alternant Hydrocarbons ◽  
Electron Charge Distribution

Electronic structure of Ni-Cu alloys: Thed-electron charge distribution

1998 ◽  
Vol 57 (24) ◽  
pp. 15204-15210 ◽  
Author(s):  
H. H. Hsieh ◽  
Y. K. Chang ◽  
W. F. Pong ◽  
J. Y. Pieh ◽  
P. K. Tseng ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Charge Distribution ◽  
Electron Charge ◽  
Cu Alloys ◽  
Electron Charge Distribution

Manifestation of nonuniformity in the electron charge distribution in H 2 + molecular ions colliding with each other

2007 ◽  
Vol 104 (2) ◽  
pp. 201-209
Author(s):  
G. V. Sholin ◽  
A. E. Trenin ◽  
V. A. Belyaev ◽  
M. M. Dubrovin ◽  
A. A. Terent’ev
Keyword(s):  
Charge Distribution ◽  
Molecular Ions ◽  
Electron Charge ◽  
Electron Charge Distribution

Electron Charge Distribution in Liquid Metals*

1988 ◽  
Vol 157 (Part_2) ◽  
pp. 459-463 ◽  
Author(s):  
Shin'ichi Takeda ◽  
Shūzi Harada ◽  
Shigeru Tamaki ◽  
Yoshio Waseda
Keyword(s):  
Charge Distribution ◽  
Liquid Metals ◽  
Electron Charge ◽  
Electron Charge Distribution

Kritische Betrachtungen zu Ladungsverteilungen in Molekülen, erhalten durch SCF-MO-LCAO- Rechnungen

1970 ◽  
Vol 25 (2) ◽  
pp. 311-312
Author(s):  
R. Janoschek
Keyword(s):  
Charge Distribution ◽  
Population Analysis ◽  
Atomic Charges ◽  
Electron Charge ◽  
Numerical Accuracy ◽  
Electron Charge Distribution

Abstract The numerical accuracy of population analysis as a tool for discussing the electron charge distribution in molecules is discussed. Theoretical bounds for the gross atomic charges resulting from the SCF-MO-LCAO method are derived. Calculated gross atomic charges which do not conform to these bounds are therefore inexact.

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