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Efficient Calculation of Exact Fine Structure Isotope Patterns via the Multidimensional Fourier Transform / Andreas Ipsen

Analytical Chemistry, Volume: 86, Issue: 11, Pages: 5316 - 5322

Swansea University Author: Ipsen, Andreas

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DOI (Published version): 10.1021/ac500108n

Abstract

An algorithm for efficiently calculating a molecule's the fine structure isotope pattern is presented. The algorithm is very easy to implement and is available in the "ecipex" package on the Comprehensive R Archive Network.

Published in: Analytical Chemistry
Published: 2014
URI: https://cronfa.swan.ac.uk/Record/cronfa22260
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Abstract: An algorithm for efficiently calculating a molecule's the fine structure isotope pattern is presented. The algorithm is very easy to implement and is available in the "ecipex" package on the Comprehensive R Archive Network.
Keywords: fine-structure isotope pattern, multidimensional fourier transform
College: Swansea University Medical School
Issue: 11
Start Page: 5316
End Page: 5322