SCF X? scattered-wave calculations of the electronic structure of small molecules

1980 ◽  
Vol 21 (2) ◽  
pp. 123-126 ◽  
Author(s):  
I. A. Topol' ◽  
A. I. Dement'ev
Keyword(s):  
Electronic Structure ◽  
Small Molecules ◽  
Scattered Wave

scholarly journals Understanding doping strategies in the design of organic electrode materials for Li and Na ion batteries: an electronic structure perspective

2017 ◽  
Vol 19 (20) ◽  
pp. 13195-13209 ◽  
Author(s):  
Johann Lüder ◽  
Mun Ho Cheow ◽  
Sergei Manzhos
Keyword(s):  
Electronic Structure ◽  
Small Molecules ◽  
Systematic Study ◽  
Electrode Materials ◽  
N Doping ◽  
Organic Electrode

In this paper, we present a systematic study of the effects of p- and n-doping in small molecules on the voltage and capacity of organic electrode materials for electrochemical batteries.

Electronic structure of the ditelluromercurate(II) Zintl anion. A scattered-wave-X.alpha. study

1987 ◽  
Vol 26 (11) ◽  
pp. 1658-1664 ◽  
Author(s):  
Frank U. Axe ◽  
Dennis S. Marynick
Keyword(s):  
Electronic Structure ◽  
Scattered Wave
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