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- W2020460121 abstract "The CH stretching overtone transitions of the nerve agent sarin (O-isopropyl methylphosphonofluoridate) are of interest to the standoff detection of chemical warfare agents, as many of these transitions occur near regions where small, efficient, portable diode lasers (originally developed for use in the telecommunications industry) operate. However, the interpretation of experimental vibrational overtone spectra is often difficult, and the computational simulation of overtone transitions in a molecule is challenging. Presented herein are the simulated CH overtone stretching transitions in sarin. Spectral regions are simulated from overtone transition energies and intensities, both of which are calculated within the harmonically coupled anharmonic oscillator (HCAO) model. Data for HCAO calculations are obtained from <i>ab initio</i> calculations, without any recourse to experimental data." @default.
- W2020460121 created "2016-06-24" @default.
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- W2020460121 date "2006-10-18" @default.
- W2020460121 modified "2023-09-23" @default.
- W2020460121 title "Vibrational overtone stretching transitions in sarin" @default.
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- W2020460121 doi "https://doi.org/10.1117/12.685015" @default.
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