Methyl Cation Affinity vs Proton Affinity in Substituted Benzenes:  An ab Initio Study

1998 ◽  
Vol 102 (17) ◽  
pp. 2981-2987 ◽  
Author(s):  
Zvonimir B. Maksić ◽  
Mirjana Eckert-Maksić ◽  
Andrea Knežević
Keyword(s):  
Ab Initio ◽  
Proton Affinity ◽  
Ab Initio Study ◽  
Substituted Benzenes ◽  
Cation Affinity ◽  
Methyl Cation

The structure and proton affinity of N-benzyl-N-(allenyl)trifluoromethanesulfonamide: FT-IR, DFT and ab initio study, NBO analysis

2013 ◽  
Vol 26 (8) ◽  
pp. 653-658 ◽  
Author(s):  
B. A. Shainyan ◽  
N. N. Chipanina ◽  
L. P. Oznobikhina ◽  
Yu. S. Danilevich
Keyword(s):  
Ab Initio ◽  
Proton Affinity ◽  
Nbo Analysis ◽  
Ab Initio Study ◽  
Ft Ir

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

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

Carrier Transport in 2-D Materials: an Ab Initio Study

2019 ◽  
Author(s):  
Mathieu Luisier ◽  
Aron Szabo ◽  
Cedric Klinkert ◽  
Christian Stieger ◽  
Martin Rau ◽  
...  
Keyword(s):  
Ab Initio ◽  
Carrier Transport ◽  
Ab Initio Study
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