I'm trying to plot the IR spectrum of a molecule. I optimized the molecule and I calculated the frequencies (option -- hess). If I understand correctly, to plot the spectrum I have to use the ir ...

Abstract: Near infrared (NIR) spectroscopy offers portable and rapid analysis of endogenous constituents ... This work utilised NIR spectroscopy for the detection of (1) drugs in fingernails including ...

X-ray crystallography, Nuclear Magnetic Resonance (NMR), mass spectrometry and UV/visible and IR spectroscopy are some of the instrumental techniques available for analysis. IR spectroscopy has ...

14 Mid infrared spectroscopy measurements were conducted in a Nicolet 380 FTIR spectrometer ... In addition, spectra of standards of cocaine base (80.01%), cocaine hydrochloride (90.68%), lidocaine ...

Infrared (IR) spectroscopy is a label-free and non-invasive technique that probes the vibrational modes of molecules, thus providing a structure-specific spectrum. The development of infrared ...

In this study, an external cavity-quantum cascade laser-based mid-infrared (IR) spectrometer was applied for in-line monitoring of proteins from preparative ion-exchange chromatography. The large ...

Spain Infrared (IR) spectroscopy is commonly used in chemical laboratories to study the geometrical structure of molecules and molecular complexes. The analysis of experimental IR spectra can nowadays ...