The bending vibrational spectrum of the perdeutero isotopomer of the water trimer anion has been measured and compared with spectra calculated using the MP2, CCSD, and Becke3LYP electronic structure ...

Near-infrared spectroscopy, as a highly promising non-destructive analytical method, relies heavily on the development level of its calibration models for prediction effectiveness.

The traditional gas logging using hydrogen flame gas chromatography is gradually difficult to meet the requirements of the current complex oil and gas reservoir exploration because of its long ...

Anharmonic IR spectrum at the GVPT2 and IDVPT2 levels, in the 1600–1800 cm –1 region, along with experimental spectra from Ivanov et al. (63) and Barnes et al. (62) The simulated spectra are modeled ...