THE THEORY OF VIBRATIONAL CIRCULAR DICHROISM. I. TECHNIQUES FOR THE CALCULATION OF ROTATIONAL STRENGTHS OF VIBRATIONAL TRANSITIONS
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Publisher:Ohio State University
The calculation of rotational strengths of vibrational transitions requires the evaluation of matrix elements of the electric and magnetic dipole-moment operators and, for this purpose, it is necessary first to solve the normal-coordinate problem. New techniques have been developed for the treatment of redundant coordinates and for the proper inclusion of linear force constants. These techniques are designed for use with a computer and are much simpler than many which have been used previously.
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