Cyclopropanes: Calculation of NMR spectra by ab initio methodology

Tetrahedron ◽  
1998 ◽  
Vol 54 (3-4) ◽  
pp. 337-348 ◽  
Author(s):  
Ronald R. Sauers
Keyword(s):  
2006 ◽  
Vol 60 (1) ◽  
Author(s):  
M. Deska ◽  
W. Śliwa

AbstractSynthesis of N-and C-substituted derivatives of benzo[h][1,6]naphthyridine, bearing 2-hydroxyethyl group has been made by quaternization reaction and by condensation of corresponding methylbenzonaphthyridines with formaldehyde. For six derivatives of isomeric benzo[c][1,5]-, benzo[h][1,6]-, and benzo[f][1,7]naphthyridines the 13C NMR spectra are discussed.For ten compounds the geometry was optimized with the AM1 and, in one case also with the ab initio 6–31G method; their effective charge values have also been calculated.


1994 ◽  
Vol 226 (5-6) ◽  
pp. 491-494 ◽  
Author(s):  
Uwe Schneider ◽  
Reinhart Ahlrichs
Keyword(s):  

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