Oriented molecule beams: Focusing and orientation of t‐butyl iodide with analysis by polarized laser photofragmentation

1988 ◽  
Vol 89 (4) ◽  
pp. 2099-2106 ◽  
Author(s):  
Qi‐Xun Xu ◽  
Kyung‐Hoon Jung ◽  
Richard B. Bernstein
Keyword(s):  
Oriented Molecule

Therα structure of benzonitrile, determined by NMR of the oriented molecule

1982 ◽  
Vol 20 (4) ◽  
pp. 276-278 ◽  
Author(s):  
P. Diehl ◽  
J. Amrein ◽  
C. A. Veracini
Keyword(s):  
Oriented Molecule

Dynamics of molecular stereochemistry via oriented molecule scattering

1987 ◽  
Vol 91 (21) ◽  
pp. 5427-5437 ◽  
Author(s):  
David H. Parker ◽  
Henk. Jalink ◽  
Steven. Stolte
Keyword(s):  
Molecule Scattering ◽  
Oriented Molecule

Oriented molecule beams: Focusing and orientation of t‐butyl bromide with analysis by polarized laser photofragmentation

1989 ◽  
Vol 91 (6) ◽  
pp. 3477-3482 ◽  
Author(s):  
Qi‐Xun Xu ◽  
Mark A. Quesada ◽  
Kyung‐Hoon Jung ◽  
R. Scott Mackay ◽  
Richard B. Bernstein
Keyword(s):  
Butyl Bromide ◽  
Oriented Molecule

Experiences with a new translation-function program

1987 ◽  
Vol 20 (6) ◽  
pp. 517-521 ◽  
Author(s):  
M. Fujinaga ◽  
R. J. Read
Keyword(s):  
Computer Program ◽  
Correlation Coefficient ◽  
Linear Correlation ◽  
Correct Position ◽  
Crystal Cell ◽  
Translation Function ◽  
Rotation Function ◽  
Oriented Molecule ◽  
Better Than

The development of a new translation-function program is reported. It is one that uses a linear correlation coefficient to determine the correct position of an oriented molecule in the crystal cell. The method has been implemented in a computer program called BRUTE. The program can also refine the orientation of the model and accept a set of atoms with fixed positions. Comparison of the correlation coefficient with other translation functions indicates that it is comparable to or slightly better than the rest. The most important feature of the program is its ability to adjust the orientation of the model. This allows for errors in the orientation obtained from the rotation function to be corrected.

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