VIBRATIONAL CIRCULAR DICHROISM AND THE FIXED PARTIAL CHARGE MODEL FOR SPIRO NONADIENE
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Publisher:Ohio State University
VCD of (+) 1,6-Spiro [4,4] nonadiene has been measured in the CH stretching region. This molecule should be ideal for analysis with the Warshel-Lifson consistent force field modified Co calculate VCD in the Schellman fixed partial charge model. Problems of this approach and sensitivity of the calculation to various parameters will be discussed.
Author Institution: Department of Chemistry, University of Illinois at Chicago Circle; Department of Chemistry, University of Southern California
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