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Structures and Conformations of Non-Rigid Molecules
From the beginnings of modern chemistry, molecular structure has been a lively area of research and speculation. For more than half a century spectroscopy and other methods have been available toExpand
Interference effects in the high Resolution CARS spectra of gases
The CARS spectra of gas-phase molecules have contributions from both real and imaginary components of the third-order non-linear susceptibility. When the spectral lines are closely spaced as in theExpand
Raman Spectroscopy Analysis of Botryococcene Hydrocarbons from the Green Microalga Botryococcus braunii*
Density function theory calculations were used to determine the Raman spectra of all botryococcenes to compare computed theoretical values with those observed, and showed that the ν(C=C) stretching bands at 1647 and 1670 cm−1 are actually composed of several closely spaced bands arising from the six individual C=C bonds in the molecule. Expand
Raman and infrared spectra and theoretical calculations of dipicolinic acid, dinicotinic acid, and their dianions
Abstract The Raman and infrared spectra of dipicolinic acid (DPA) and dinicotinic acid (DNic) and their salts (CaDPA, Na 2 DPA, and CaDNic) have been recorded and the spectra have been assigned. AbExpand
Studies of bisphenol-A polycarbonate aging by Raman difference spectroscopy
Abstract Raman difference spectroscopy (RDS) has been used to measure small frequency shifts (up to ±3 cm−1) in the Raman frequencies of the bisphenol-A–polycarbonate polymer when subjected toExpand
Anharmonic Vibrational Analysis of the Infrared and Raman Gas-Phase Spectra of s-trans- and s-gauche-1,3-Butadiene.
It is shown that solving a vibrational anharmonic problem through a numerical-analytic implementation of CVPT2 is a straightforward and computationally advantageous approach for medium-size molecules in comparison with the standard second-order vibrational perturbation theory (VPT 2) based on analytic expressions. Expand