Macs in Chemistry

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NMR Tables and more


I've just been sent details of a couple of useful applications

NMR Tables

This app displays a simple interactive table of properties for the NMR active isotopes. Properties displayed are element and isotope symbol, nuclear spin, natural abundance, gyromagnetic ratio, electric quadrupole moment, Larmor frequency, and dipolar coupling. Table can be sorted on any column. The magnetic field strength can be adjusted to determine the Larmor frequency. Dipolar couplings can be adjusted for different isotopes and internuclear distances. Additional filtering for even and odd atomic number isotopes, and for nuclear spin values.


RMN is a multi-dimensional signal processing application capable of handling uniformly sampled signals in an arbitrary number of dimensions. Provides a number of signal processing operations on real, complex, or multi-channel signals, such as Fourier Transform, apodization, data filling, interactive phase corrections, complex conjugate, 2D affine (translate, shear, rotate, scale) transformations. Signals can be added, subtracted, or multiplied. Two-dimensional signals can be displayed as intensity, contour, or stacked plots. RMN imports most NMR datasets from Bruker, Tecmag, JEOL, Spinsight, Varian/Agilent, and JCAMP (XYDATA only). Additionally, RMN imports image formats jpg and png, and audio format wav.


How is PhySyCalc different from other calculators? It allows you to include unit symbols in your calculations, obtaining the answer in the desired unit without those extra unit conversion steps. On top of this great simplification, PhySyCalc knows practically every fundamental physical constant. It even knows physical properties for elements and isotopes in the periodic table. This allows you to get numerical answers in the desired unit in a fraction of the time you'd spend on a conventional calculator. PhySyCalc is quick to learn and easy to use. Can't remember a unit symbol? PhySyCalc helps you find and append commonly used units onto a number. PhySyCalc uses a natural infix notation for calculations. This means you can enter and read through the entire expression in full before calculating the result, helping you quickly identify and fix any input errors.