Ab initio study of energy band structures of GaAs nanoclusters

2009 ◽  
Vol 94 (9) ◽  
pp. 092110 ◽  
Author(s):  
J. Jiang ◽  
B. Gao ◽  
T.-T. Han ◽  
Y. Fu
2012 ◽  
Vol 22 (45) ◽  
pp. 23821 ◽  
Author(s):  
Yang Xu ◽  
Yunlong Liu ◽  
Huabin Chen ◽  
Xiao Lin ◽  
Shisheng Lin ◽  
...  

2011 ◽  
Author(s):  
Hardev Singh ◽  
Mukhtiyar Singh ◽  
Manish K. Kashyap ◽  
S. K. Tripathi ◽  
Keya Dharamvir ◽  
...  

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  

2019 ◽  
Author(s):  
Mathieu Luisier ◽  
Aron Szabo ◽  
Cedric Klinkert ◽  
Christian Stieger ◽  
Martin Rau ◽  
...  

1987 ◽  
Vol 52 (1) ◽  
pp. 6-13 ◽  
Author(s):  
Petr Kyselka ◽  
Zdeněk Havlas ◽  
Ivo Sláma

The paper deals with the solvation of Li+, Be2+, Na+, Mg2+, and Al3+ ions in dimethyl sulphoxide, dimethylformamide, acetonitrile, and water. The ab initio quantum chemical method was used to calculate the solvation energies, molecular structures, and charge distributions for the complexes water···ion, acetonitrile···ion, dimethyl sulphoxide···ion, and dimethylformamide···ion. The interaction energies were corrected for the superposition error. Complete geometry optimization was performed for the complex water···ion. Some generalizations are made on the basis of the results obtained.


2018 ◽  
Vol 124 (24) ◽  
pp. 245102 ◽  
Author(s):  
J. J. Gutiérrez Moreno ◽  
D. G. Papageorgiou ◽  
G. A. Evangelakis ◽  
Ch. E. Lekka
Keyword(s):  

2005 ◽  
Vol 589 (1-3) ◽  
pp. 8-18 ◽  
Author(s):  
Kyuho Lee ◽  
Jaejun Yu
Keyword(s):  

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