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        <dc:date>2022-01-14T15:34:14+0000</dc:date>
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        <title>tools:aibsim</title>
        <link>https://cosmic-pah.irap.omp.eu/doku.php?id=tools:aibsim&amp;rev=1642174454&amp;do=diff</link>
        <description>AIBsimulator

Detailed description

Aromatic Infrared Bands (AIBs) observed in astronomical environments are generally attributed to emission from PAHs excited by UV photons from stars. The AIBsimulator is a simulator for a fast calculation of the emission of a given PAH in a given radiation field. The simulator will provide a library of synthetic AIB spectra based on theoretical and experimental molecular data, at the accuracy and sensitivity level required to match coming James Webb Space Tele…</description>
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        <dc:date>2024-10-28T16:20:26+0000</dc:date>
        <dc:creator>Anonymous (anonymous@undisclosed.example.com)</dc:creator>
        <title>tools:mfit</title>
        <link>https://cosmic-pah.irap.omp.eu/doku.php?id=tools:mfit&amp;rev=1730132426&amp;do=diff</link>
        <description>cosmicPAHmfit

Detailed description

CosmicPAHmfit is a python fitting tool. It performs a multi-component fit of the selected spectral feature using pseudo-Voigt functions (linear combination of a Gaussian curve and of a Lorentzian curve possibly modified by an asymmetry factor). It has a graphical interface to select the spectral feature of interest as well as the number of components to be included in the fit. For each component, it provides the evolution of the position, width (FWHM) and int…</description>
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        <dc:date>2021-07-30T16:57:46+0000</dc:date>
        <dc:creator>Anonymous (anonymous@undisclosed.example.com)</dc:creator>
        <title>tools:mmass</title>
        <link>https://cosmic-pah.irap.omp.eu/doku.php?id=tools:mmass&amp;rev=1627664266&amp;do=diff</link>
        <description>&lt;http://www.mmass.org/&gt;</description>
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        <title>tools:mmass_u</title>
        <link>https://cosmic-pah.irap.omp.eu/doku.php?id=tools:mmass_u&amp;rev=1642173463&amp;do=diff</link>
        <description>mMass_updated

Detailed description

Mmass is an open source mass spectrometry tool, mostly written in python language.
Mmass_updated is a modified version adding new functionalities such as double bond equivalent calculation and separation into families of compounds and running with 64-bit MacOS.</description>
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        <dc:date>2022-01-14T16:40:11+0000</dc:date>
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        <title>tools:qchitool</title>
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        <description>QChITool

Detailed description

QChITool (acronym for Quantum Chemistry Import Tool) is a web application, written using the Django platform, that is meant to make as automatic as possible the extraction of (some) information directly from the log files of pertinent quantum chemistry calculations, and import them in the database of the theoretical PAH database. The tool, which is open source, is currently already able to import calculations done with the NWChem and Gaussian codes. Work is underw…</description>
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