In this paper, a bituminous coal species identification method based on terahertz time-domain spectroscopy combined with machine learning-principal component analysis Principal component analysis (PCA ...

Infrared spectroscopy (IR spectroscopy) is an optical technique that detects molecular bond vibrations and rotations upon absorption of infrared light. Because different chemical functional groups ...

Yet, the physical nature of this fluorous effect is unknown. Here, we shed light on the fluorous effect by analyzing the infrared absorption spectra of perfluorinated and semifluorinated alkanes in ...

Our approach introduces vanillin methacrylate (VanMMA), cinnamyl ... Furthermore, the obtained mass spectra agree with their in silico prediction by CFM-ID 4.0, (50) which also proposed the product ...

pmird is an interface to the peatland mid infrared spectra database (pmird database) (Teickner and Knorr 2025). ‘pmird’ allows to access the pmird database as dm object. Here, and are the respective ...

The primary use of methyl methacrylate is the production of acrylic plastics and resins (trade names are Lucite, Plexiglas and Perspex) for sheeting and molding compounds. These are used in ...

Plug-in for ChimeraX providing features for building and manipulating organic and organometallic molecules as well as displaying output from quantum chemistry computations.

This goal is accomplished by means of spectroscopy measurements, usually after a separation step, consisting of liquid (LC) or gas (GC) chromatography. Within the wide range of hyphenated techniques, ...