scholarly journals Fast approximations of the rotational diffusion tensor and their application to structural assembly of molecular complexes

2011 ◽  
Vol 79 (7) ◽  
pp. 2268-2281 ◽  
Author(s):  
Konstantin Berlin ◽  
Dianne P. O'Leary ◽  
David Fushman
Keyword(s):  
Diffusion Tensor ◽  
Rotational Diffusion ◽  
Molecular Complexes ◽  
Structural Assembly ◽  
Rotational Diffusion Tensor

Molecular motion and methyl group rotation barriers from 13C nmr relaxation times. Podacarpic acid derivatives

1982 ◽  
Vol 60 (10) ◽  
pp. 1173-1177 ◽  
Author(s):  
Helmut Beierbeck ◽  
John W. Easton ◽  
John K. Saunders ◽  
Russell A. Bell
Keyword(s):  
Diffusion Tensor ◽  
Rotational Diffusion ◽  
Relaxation Times ◽  
Nmr Relaxation ◽  
Time Data ◽  
Nmr Relaxation Times ◽  
Group Rotation ◽  
Rotational Diffusion Tensor ◽  
Nmr Relaxation Time ◽  
C Nmr

The 13C nmr relaxation time data for a number of compounds related to podocarpic acid are presented. The T1 values of these molecules were satisfactorily reproduced by application of Woessner's equations for an asymmetric top assuming that the preferred principal axis of the rotational diffusion tensor was either the preferred principal inertial axis or an axis containing the centre of mass and the heterosubstituent at C-4. The values for hindrance to rotation for the various methyl groups are given and their variations discussed.

Determination of the molecular rotational-diffusion tensor for liquid ethyl bromide

1982 ◽  
Vol 17 (5) ◽  
pp. 458-464
Author(s):  
V. A. Daragan ◽  
I. V. Zlokazova ◽  
N. K. Gaisin ◽  
Kh. Z. Khusainov
Keyword(s):  
Diffusion Tensor ◽  
Rotational Diffusion ◽  
Ethyl Bromide ◽  
Rotational Diffusion Tensor
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