Microwave spectrum, conformation, ab initio calculations, barrier to internal rotation and dipole moment of propionamide

1996 ◽  
Vol 376 (1-3) ◽  
pp. 11-24 ◽  
Author(s):  
K.-M. Marstokk ◽  
Harald Møllendal ◽  
Svein Samdal
Keyword(s):  
Dipole Moment ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Internal Rotation ◽  
Microwave Spectrum

Microwave Spectrum,r0Structure, Dipole Moment, Barrier to Internal Rotation, and Ab Initio Calculations for Fluoromethylsilane

2010 ◽  
Vol 114 (12) ◽  
pp. 4131-4137 ◽  
Author(s):  
James R. Durig ◽  
Savitha S. Panikar ◽  
Peter Groner ◽  
Hossein Nanaie ◽  
Hans Bürger ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Internal Rotation ◽  
Microwave Spectrum

scholarly journals Structural Parameters and Internal Rotational Barriers of tert-Butylammonium Ion: AM1 and ab initio Calculations

1992 ◽  
Vol 47 (12) ◽  
pp. 1255-1256
Author(s):  
Hiroyuki Ishida ◽  
Yoshihiro Kubozono ◽  
Setsuo Kashino ◽  
Ryuichi Ikeda
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Internal Rotation ◽  
Barrier Height ◽  
Structural Parameters ◽  
Mo Calculations ◽  
Ab Initio Mo Calculations ◽  
Rotational Barriers ◽  
Ab Initio Mo ◽  
Internal Rotational Barriers

Semiempirical and ab initio MO calculations were performed to estimate the structural parameters of tert-butylammonium ion and its potential energies for the internal rotation of the CH3 and NH3+ groups. The barrier height for the rotation of NH3+ was found to be lower than for that of CH3 , corresponding to the C - N bond being longer than the C - C bond.

ChemInform Abstract: THE MICROWAVE SPECTRUM, STRUCTURE, DIPOLE MOMENT, AND INTERNAL ROTATION OF THE METHYL ISOCYANIDE-BORANE COMPLEX

1977 ◽  
Vol 8 (21) ◽  
pp. no-no
Author(s):  
J. F. JUN. STEVENS ◽  
J. W. BEVAN ◽  
R. F. JUN. CURL ◽  
R. A. GEANANGEL ◽  
M. G. HU
Keyword(s):  
Dipole Moment ◽  
Internal Rotation ◽  
Microwave Spectrum ◽  
Methyl Isocyanide ◽  
Spectrum Structure

ChemInform Abstract: Microwave Spectrum, r0 Structure, and ab initio Calculations for Trimethylphosphine.

ChemInform ◽  
2010 ◽  
Vol 23 (16) ◽  
pp. no-no
Author(s):  
K. K. CHATTERJEE ◽  
J. R. DURIG ◽  
S. BELL
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Microwave Spectrum
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