Conformational Analysis of Verbenols and Related Alcohols by PMR Spectra with a Chemical Shift Reagent

1979 ◽  
Vol 43 (11) ◽  
pp. 2323-2329
Author(s):  
Chikao Nishino ◽  
Hisao Takayanagi
Keyword(s):  
Chemical Shift ◽  
Conformational Analysis ◽  
Shift Reagent ◽  
Pmr Spectra

scholarly journals PMR Spectra of Poly(methyl vinyl ether) in the Presence of Shift Reagent

1972 ◽  
Vol 3 (5) ◽  
pp. 645-646 ◽  
Author(s):  
Heimei Yuki ◽  
Koichi Hatada ◽  
Toshihiko Hasegawa ◽  
Yoshio Terawaki ◽  
Hiroshi Okuda
Keyword(s):  
Vinyl Ether ◽  
Shift Reagent ◽  
Methyl Vinyl ◽  
Pmr Spectra ◽  
Methyl Vinyl Ether

Ab initio Conformational Analysis of Glutamic Acid, Chemical Shift Anisotropy and Population Studies

2003 ◽  
Vol 2003 (8) ◽  
pp. 454-456 ◽  
Author(s):  
M. Monajjemi ◽  
M.T. Azad ◽  
H.H. Haeri ◽  
K. Zare ◽  
Sh. Hamedani
Keyword(s):  
Chemical Shift ◽  
Conformational Analysis ◽  
Glutamic Acid ◽  
Gas Phase ◽  
Population Studies ◽  
Chemical Shift Anisotropy ◽  
High Energy ◽  
Stable Conformer ◽  
Rotational Angle ◽  
Radical Attack

We report on glutamic acid rotation and its stable conformer in gas phase. The calculations were performed by HF/6-31G* and B3lyp/6-31G* levels of theory. There is a pertubation in the population diagram of the C3 that shows nucleophilic or radical attack will probably occur at this site. This fact is confirmed by the charge distribution and CSA (chemical shift anisotropy) diagrams. The energies and the relative energies are given as a function of rotational angle. Also, low and high-energy barriers of N-H rotation computed at various level of theory have been obtained. Vibrational frequencies of the structure were done to verify the minima of the energy.

ChemInform Abstract: Conformational Analysis by Chemical Shift Simulation

ChemInform ◽  
2010 ◽  
Vol 29 (21) ◽  
pp. no-no
Author(s):  
Y. FUKAZAWA ◽  
S. USUI
Keyword(s):  
Chemical Shift ◽  
Conformational Analysis

Conformational analysis of substituted 1-cycloheptene-5,6- and 1-cycloheptene-6,7-diols from ir, raman, and pmr spectra

1987 ◽  
Vol 36 (9) ◽  
pp. 1834-1838
Author(s):  
R. R. Shagidullin ◽  
R. R. Shagidullin ◽  
K. M. Enikeev ◽  
A. N. Karaseva ◽  
G. A. Bakaleinik
Keyword(s):  
Conformational Analysis ◽  
Pmr Spectra ◽  
Substituted 1
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