An ab initio study of the vibrational properties of alkaline-earth metal nitrates and their crystallohydrates

2017 ◽  
Vol 122 (6) ◽  
pp. 929-936 ◽  
Author(s):  
Yu. N. Zhuravlev ◽  
D. V. Korabel’nikov
Keyword(s):  
Ab Initio ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Vibrational Properties ◽  
Ab Initio Study ◽  
Metal Nitrates

Heats of Formation of Alkali Metal and Alkaline Earth Metal Oxides and Hydroxides:  Surprisingly Demanding Targets for High-Level ab Initio Procedures

2003 ◽  
Vol 107 (29) ◽  
pp. 5617-5630 ◽  
Author(s):  
Michael B. Sullivan ◽  
Mark A. Iron ◽  
Paul C. Redfern ◽  
Jan M. L. Martin ◽  
Larry A. Curtiss ◽  
...  
Keyword(s):  
Alkali Metal ◽  
Metal Oxides ◽  
Ab Initio ◽  
Alkaline Earth ◽  
Earth Metal ◽  
Heats Of Formation ◽  
Alkaline Earth Metal ◽  
Alkaline Earth Metal Oxides ◽  
High Level

Ab Initio calculation of 19F NMR chemical shielding for alkaline-earth-metal fluorides

2010 ◽  
Vol 19 (12) ◽  
pp. 1179-1183
Author(s):  
Shu-Hui Cai ◽  
Ztang Chen ◽  
Xin Lu ◽  
Zw-Wei Chen ◽  
Hui-Lin Wan
Keyword(s):  
Ab Initio ◽  
Ab Initio Calculation ◽  
Alkaline Earth ◽  
Earth Metal ◽  
19F Nmr ◽  
Alkaline Earth Metal ◽  
Chemical Shielding ◽  
Metal Fluorides
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