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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.
2 QuanPol is a full spectrum and seamless (HF, MCSCF, GVB, MP2, DFT, TDDFT, CHARMM, AMBER, OPLSAA) QM/MM package integrated in GAMESS-US. [8] 10 Through CRYSCOR Archived 2019-12-26 at the Wayback Machine program.
Fourier-transform spectroscopy (FTS) is a measurement technique whereby spectra are collected based on measurements of the coherence of a radiative source, using time-domain or space-domain measurements of the radiation, electromagnetic or not.
The GAMESS (US) software also provides a comprehensive bonding analysis technique based on the Quasi-Atomic Orbital (QUAO) analysis proposed by professor Klaus Ruedenberg. The QUAO analysis provides a quasi-atomical perspective of bonding molecular orbitals in molecules. These are oriented orbitals which show the bonding direction.
samadii - Computer-aided-engineering-based simulation software designed to run simulations such as solid particles, high vacuum systems gas-flow environments, plasma, and electromagnetic simulations. Ship Simulator - a vehicle simulation computer game by VSTEP which simulates maneuvering various ships in different environments.
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).
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.
Origin is a proprietary computer program for interactive scientific graphing and data analysis.It is produced by OriginLab Corporation, and runs on Microsoft Windows.It has inspired several platform-independent open-source clones and alternatives like LabPlot and SciDAVis.