Triple Bonds to Silicon. Relative Stabilities and Energy Barriers Separating Silanitriles and Silaisonitriles. An ab Initio Study

1995 ◽  
Vol 117 (27) ◽  
pp. 7263-7264 ◽  
Author(s):  
Yitzhak Apeloig ◽  
Karsten Albrecht
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Energy Barriers ◽  
Relative Stabilities ◽  
Triple Bonds

scholarly journals Hydrogen diffusion out of ruthenium—an ab initio study of the role of adsorbates

2020 ◽  
Vol 22 (15) ◽  
pp. 7935-7941
Author(s):  
Chidozie Onwudinanti ◽  
Geert Brocks ◽  
Vianney Koelman ◽  
Thomas Morgan ◽  
Shuxia Tao
Keyword(s):  
Ab Initio ◽  
Hydrogen Diffusion ◽  
Ab Initio Study ◽  
Energy Barriers ◽  
Near Surface

The energy barriers to hydrogen diffusion from near-surface interstitial sites in ruthenium are determined by the presence of adsorbates.

Structures and Relative Stabilities of Benzenoid and ortho-Quinonoid Molecules Containing the Divalent Groups --CH2--, --NH-- and --O--. An Ab Initio Study.

1988 ◽  
Vol 42a ◽  
pp. 428-433 ◽  
Author(s):  
Anne Skancke ◽  
P. N. Skancke ◽  
Gustavo Portalone ◽  
György Schultz ◽  
Diane Shaieb ◽  
...  
Keyword(s):  
Ab Initio ◽  
Ab Initio Study ◽  
Relative Stabilities
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