用gaussian DFT计算出的Raman activity 是不是就是实验中的intensity? 我查有关参考书上说有关键词freq=raman 就能够计算raman intensity,但是在view结果里Raman spectrum 里却是activity,这是为什么? 我在GaussView 3.1 教程_英文版中105页看到下面这句话 In this case, we seethe vibrational frequencies, infrared...
谢谢！使用plot spectrum画图，左边y轴是relative Raman intensity，右边y轴是activity，使用功能2 expor ....
Raman optical activity (ROA) is the difference in the intensity of Raman scattered light with respect to right and left circularly polarized incident or scattered radiation, or both. The form of ROA defined with circular polarization modulation of the incident laser was first described theoretically ...
如题！用DFT计算出的Raman activity 是不是就是实验中的intensity?
Thanks to recent developments in instrumentation, biomolecules can now be studied using Raman optical activity (ROA), a novel technique which measures vibrational optical activity in chiral molecules by means of a small difference in the intensity of Raman scattering in right-and left-circularly ...
INTENSITY IN THE RAMAN EFFECT: IV. RAMAN INTENSITY SUM RULES AND FREQUENCY ASSIGNMENTS FOR CH 3 CN, CD 3 CN, CH 3 CCl 3 , AND CD 3 CCl 3 The standard intensities of the Raman bands of CHCN, CDCN, CHCCland CDCClhave been obtained for the liquids with a photoelectric, grating spectro...
Precision calibration of Raman intensity versus KDP concentration with less than 1 pct standard deviation error levels was demonstrated. A fiber optic, which sampled incident laser intensity and coupled it to the OMA, provided a fully synchronized monitor of fluctuations in laser power to correlate ...
On account of its sensitivity to chirality, Raman optical activity (ROA), measured here as the intensity of a small, circularly polarized component in the scattered light using unpolarized incident light, is a powerful probe of protein structure and behavior. Protein ROA spectra provide information ...
On the atomic polar tensor (APT) approach for vibrational circular dichroism (VCD) and Raman optical activity (ROA) From matrix formalisms for VCD and ROA inspired by the polar tensor infrared intensity theory, and by the polar tensor and the Mayants-Averbukh Raman intensity theories, it is ...
A complete theory of natural circular polarization Raman optical activity (ROA) is presented that, for the first time, includes explicit dependence on the polarization and propagation vectors of the incident and scattered photons. The general theory directly yields Raman and ROA intensity expressions ...