Stability of Charge Distributions in Electret Films on the nm-Scale

Author(s):  
Sebastian Gödrich ◽  
Hans-Werner Schmidt ◽  
Georg Papastavrou
Keyword(s):  

2000 ◽  
Author(s):  
G. Mainelis ◽  
K. Willeke ◽  
S. Grinshpun ◽  
T. Reponen ◽  
S. Trakumas ◽  
...  


PIERS Online ◽  
2010 ◽  
Vol 6 (4) ◽  
pp. 300-306
Author(s):  
Geert C. Dijkhuis




2020 ◽  
Vol 17 (3) ◽  
pp. 224-233
Author(s):  
Xun Zhu ◽  
Chen Jian ◽  
Xiuqin Zhou ◽  
Abdullah M. Asiri ◽  
Khalid A. Alamry ◽  
...  

The pyrolysis of methyl alkyl esters I to III and dithioesters IV to VI were theoretically calculated. All possible pyrolysis paths were considered. Both esters and dithioesters presented three potential paths via six-, four- and five-membered ring transition states, respectively. The calculation processes were calculated using MP2/6-31G(d) set. In-depth theoretical analyses were also presented, including NBO related analyses, synchronicities, and charge distributions, to reveal the detailed pyrolysis process.



1981 ◽  
Vol 46 (9) ◽  
pp. 2068-2075 ◽  
Author(s):  
Stanislav Böhm ◽  
Josef Kuthan

Results of ab initio MO calculations of the dihydropyridine molecules I-V are confronted with analogous CNDO/2 and MINDO/3 calculations. The molecular energies calculated by means of the 4-31 G base predict the 6pi-electron isomers I and II to be the most stable dihydropyridine forms in contrast to the STO-3G and CNDO/2 data preferring the 4pi-electron isomers III-V. The charge distributions calculated non-empirically and semiempirically show different characteristic features.





1979 ◽  
Vol 85 (2-3) ◽  
pp. 167-171 ◽  
Author(s):  
B.A. Brown ◽  
S.E. Massen ◽  
P.E. Hodgson


1983 ◽  
Vol 28 (4) ◽  
pp. 1791-1797 ◽  
Author(s):  
M. Waroquier ◽  
J. Bloch ◽  
G. Wenes ◽  
K. Heyde


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