Towards Accurate ab initio Calculations on the Vibrational Modes of the Alkaline Earth Metal Hydrides.

ChemInform ◽  
2005 ◽  
Vol 36 (48) ◽  
Author(s):  
Tomica Hrenar ◽  
Hans-Joachim Werner ◽  
Guntram Rauhut
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Alkaline Earth ◽  
Metal Hydrides ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Vibrational Modes

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

Metal carbonates-induced solution-free dehydrogenation of alkaline earth metal hydrides at room temperature

2020 ◽  
Vol 289 ◽  
pp. 121485
Author(s):  
Song Zhang ◽  
Lu Wang ◽  
Yun-Long Tai ◽  
Yun-Lei Teng ◽  
Juan Zhao ◽  
...  
Keyword(s):  
Alkaline Earth ◽  
Room Temperature ◽  
Metal Hydrides ◽  
Earth Metal ◽  
Alkaline Earth Metal ◽  
Metal Carbonates
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