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Fourier transform infrared spectroscopy (FTIR) [1] is a technique used to obtain an infrared spectrum of absorption or emission of a solid, liquid, or gas. An FTIR spectrometer simultaneously collects high-resolution spectral data over a wide spectral range.
The schematic representation of a nano-FTIR system with a broadband infrared source. Nano-FTIR (nanoscale Fourier transform infrared spectroscopy) is a scanning probe technique that utilizes as a combination of two techniques: Fourier transform infrared spectroscopy (FTIR) and scattering-type scanning near-field optical microscopy (s-SNOM).
Python-based Simulations of Chemistry Framework (PySCF) is an ab initio computational chemistry program natively implemented in Python program language. [ 1 ] [ 2 ] The package aims to provide a simple, light-weight and efficient platform for quantum chemistry code developing and calculation.
Diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) [1] is an infrared spectroscopy sampling technique used on powder samples without prior preparation. The sample is added to a sample cup and the data is collected on the bulk sample.
An "interferogram" from a Fourier-transform spectrometer. This is the "raw data" which can be Fourier-transformed into an actual spectrum. The peak at the center is the ZPD position ("zero path difference"): Here, all the light passes through the interferometer because its two arms have equal length.
There are two main approaches to two-dimensional spectroscopy, the Fourier-transform method, in which the data is collected in the time-domain and then Fourier-transformed to obtain a frequency-frequency 2D correlation spectrum, and the frequency domain approach in which all the data is collected directly in the frequency domain.
pyOpenMS is an open-source Python library for mass spectrometry, specifically for the analysis of proteomics and metabolomics data in Python. Peaksel Proprietary: This web-based (available both in cloud as SaaS and as on-prem installation) software for LC/MS data processing supports batch processing and high-throughput experiments.
The dispersive method is more common in UV-Vis spectroscopy, but is less practical in the infrared than the FTIR method. One reason that FTIR is favored is called "Fellgett's advantage" or the "multiplex advantage": The information at all frequencies is collected simultaneously, improving both speed and signal-to-noise ratio.