A theoretical study of the site selectivity of the zeolite cation. 1. Site selectivities of alkali and alkaline earth metal cations in zeolite A

1978 ◽  
Vol 82 (14) ◽  
pp. 1655-1660 ◽  
Author(s):  
Kiyoshi Ogawa ◽  
Masahiro Nitta ◽  
Kazuo Aomura
RSC Advances ◽  
2015 ◽  
Vol 5 (28) ◽  
pp. 21823-21830 ◽  
Author(s):  
Xueli Zhang ◽  
Junqing Yang ◽  
Ming Lu ◽  
Xuedong Gong

The potential energetic materials, alkaline earth metal complexes of the pentazole anion (M(N5)2, M = Mg2+, Ca2+, Sr2+and Ba2+), were studied using the density functional theory.


2019 ◽  
Vol 61 (5) ◽  
pp. 841
Author(s):  
Л.Э. Гончарь

A theoretical study of the interrelation of the crystal structure, charge, orbital, and magnetic subsystems in R1–xAxMnO3 charge-ordered manganites has been carried out (where R3+ is the rare earth ion, A2+ is the alkaline earth metal ion, x = 0.5, 2/3). The model of orbital-dependent exchange interactions and single-ion anisotropy is used. The presence of quasi-low-dimensional magnetic structures is exhibited. The spin waves spectra and antiferromagnetic resonance spectra are calculated.


Langmuir ◽  
2004 ◽  
Vol 20 (12) ◽  
pp. 4920-4925 ◽  
Author(s):  
Tatsuya Kodama ◽  
Masahito Ueda ◽  
Yumiko Nakamuro ◽  
Ken-ichi Shimizu ◽  
Sridhar Komarneni

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