Vibrational circular dichroism of trans-1,2-dideuteriocyclobutane. A comparison of fixed partial charge and localized molecular orbital theories with different force fields

TY - JOUR

T1 - Vibrational circular dichroism of trans-1,2-dideuteriocyclobutane. A comparison of fixed partial charge and localized molecular orbital theories with different force fields

AU - Annamalai, A.

AU - Keiderling, T. A.

AU - Chickos, J. S.

N1 - Vibrational circular dichroism and absorption spectra for trans-1,2-dideuteriocyclobutane in both gas phase and solution are presented and analyzed by using the effective charge and localized molecular orbital theories. In the C-H and C-D stretching regions both theories give similar VCD line shapes, but these, in turn, depend on the force field used.

PY - 1984/1/10

Y1 - 1984/1/10

UR - https://uic.pure.elsevier.com/en/publications/vibrational-circular-dichroism-of-trans-12-dideuteriocyclobutane-

U2 - 10.1021/ja00333a025

DO - 10.1021/ja00333a025

M3 - Article

VL - 106

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

ER -