Vibrational spectra of epoxypropane.

Autor: Polavarapu, P. L., Hess, B. A., Schaad, L. J.
Předmět:
Zdroj: Journal of Chemical Physics; 2/15/1985, Vol. 82 Issue 4, p1705, 6p
Abstrakt: Vibrational band assignments for epoxypropane were derived from experimental vibrational spectral data and ab initio calculations with a 6-31G basis. Using the ab initio normal coordinates and bond moment theory, vibrational circular dichroism (VCD) parameters for (S)-epoxypropane were calculated and compared to experimental VCD observations. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index