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107. MOSCOW: Kronig-Kramers Transform Program
by Thomas D. Bouman, Argonne National Laboratory, Argonne, Illinois 60439 This program computes the Kronig-Kramers transform of functions expressible as the sum of Gaussians, as a function of wavelength. Both the input spectrum and its transform are plotted against wavelength on the line printer. Primary use is to convert a circular dichroism (CD) curve to an optical rotary dispersion (ORD) curve. FORTRAN IV or CDC FORTRAN 63 Lines of Code: 185 Recommended Citation: T. D. Bouman, QCPE 11, 107 (1967). |