Ab initio study of the transition structure of the [1,5]-sigmatropic hydrogen transfer in cis-1,3-pentadiene

1983 ◽  
Vol 105 (24) ◽  
pp. 7185-7186 ◽  
Author(s):  
B. Andes Hess ◽  
L. J. Schaad
Keyword(s):  
Ab Initio ◽  
Hydrogen Transfer ◽  
Ab Initio Study ◽  
Transition Structure ◽  
In Cis

Atomic charges and charge fluxes in cis and trans-C2H2X2 (X=F, Cl): an ab initio study

1991 ◽  
Vol 248 (3-4) ◽  
pp. 281-288 ◽  
Author(s):  
M.N. Ramos ◽  
R. Fausto ◽  
J.J.C. Teixeira-Dias ◽  
C. Castiglioni ◽  
M. Gussoni ◽  
...  
Keyword(s):  
Ab Initio ◽  
Atomic Charges ◽  
Ab Initio Study ◽  
Cis And Trans ◽  
In Cis

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
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