Correlation analysis of carbonyl carbon 13C NMR chemical shifts, IR absorption frequencies and rate coefficients of nucleophilic acyl substitutions. A novel explanation for the substituent dependence of reactivity

1999 ◽  
pp. 1497-1502 ◽  
Author(s):  
Helmi Neuvonen ◽  
Kari Neuvonen
Keyword(s):  
Correlation Analysis ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Rate Coefficients ◽  
Ir Absorption ◽  
Carbonyl Carbon ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts ◽  
Absorption Frequencies

ChemInform Abstract: Comparative Study of 13C NMR Chemical Shifts of Anisoles and Thioanisoles.

ChemInform ◽  
2010 ◽  
Vol 24 (23) ◽  
pp. no-no
Author(s):  
V. BALIAH ◽  
V. PREMASAGAR ◽  
M. UMA ◽  
A. MANGALAMUDAIYAR
Keyword(s):  
Comparative Study ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts

High Cost-Effectiveness Ratio: GIAO-mPW1PW91/6-31 G(d)//PM7 Scaling Factor for 13C NMR Chemical Shifts Calculation

2015 ◽  
Vol 12 (9) ◽  
pp. 2195-2201 ◽  
Author(s):  
Fabio Luiz Paranhos Costa ◽  
Ana Carolina Ferreira de Albuquerque ◽  
Fernando Martins dos Santos Junior ◽  
Mauro Barbosa de Amorim
Keyword(s):  
Cost Effectiveness ◽  
13C Nmr ◽  
Chemical Shifts ◽  
Scaling Factor ◽  
Cost Effectiveness Ratio ◽  
Nmr Chemical Shifts ◽  
13C Nmr Chemical Shifts
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