Quantitative vapor-phase IR intensities and DFT computations to predict absolute IR spectra based on molecular structure: I. Alkanes

Autor: Williams, Stephen D., Johnson, Timothy J., Sharpe, Steven W., Yavelak, Veronica, Oates, R.P., Brauer, Carolyn S.
Zdroj: In Journal of Quantitative Spectroscopy and Radiative Transfer November 2013 129:298-307
Databáze: ScienceDirect