A CNDO [complete neglect of differential overlap]/2 theoretical study of substituent effects on electronic distributions in fluorine molecular orbitals. Comparison with meta- and para-substituent fluorine nuclear magnetic resonance shifts

1970 ◽  
Vol 92 (24) ◽  
pp. 7007-7019 ◽  
Author(s):  
Robert W. Taft ◽  
R. T. C. Brownlee
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Theoretical Study ◽  
Substituent Effects ◽  
Molecular Orbitals ◽  
Complete Neglect ◽  
Neglect Of Differential Overlap ◽  
Nuclear Magnetic ◽  
Electronic Distributions

Nuclear Magnetic Resonance Chemical Shifts of some Monosubstituted Isothiazoles

1975 ◽  
Vol 53 (4) ◽  
pp. 596-603 ◽  
Author(s):  
Roderick E. Wasylishen ◽  
Thomas R. Clem ◽  
Edwin D. Becker
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Substituent Effects ◽  
Charge Densities ◽  
Monosubstituted Benzenes ◽  
Proton Chemical Shifts ◽  
Nuclear Magnetic

Carbon-13 and proton chemical shifts have been measured for several monosubstituted isothiazoles. Substituent effects upon these chemical shifts are compared with those observed for monosubstituted benzenes, pyridines, and thiophenes. In general the observed substituent effects in the isothiazoles and thiophenes closely parallel one another. Correlations between the observed carbon-13 Chemical shifts and CNDO/2 calculated charge densities are examined.

Nuclear magnetic resonance microscopy with 4-μm resolution: Theoretical study and experimental results

1988 ◽  
Vol 15 (6) ◽  
pp. 815-824 ◽  
Author(s):  
Z. H. Cho ◽  
C. B. Ahn ◽  
S. C. Juh ◽  
H. K. Lee ◽  
R. E. Jacobs ◽  
...  
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Theoretical Study ◽  
Experimental Results ◽  
Magnetic Resonance Microscopy ◽  
Nuclear Magnetic
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