Journal of Physical Chemistry A, Vol.113, No.1, 157-164, 2009
Density Functional Theory Study on Sum-Frequency Vibrational Spectroscopy of Arabinose Chiral Solutions
Using time-dependent density functional computations we calculate the doubly resonant IR-UV sum-frequency vibrational spectroscopy and sum-frequency vibrational spectroscopy off electronic resonance for D-arabinose solutions. In comparison with the experimental detection limit, the calculated doubly resonant IR-UV sum-frequency vibrational spectroscopy is strong enough to be detectable.