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        <titl xml:lang="sv">Data for: Kinetic Monte Carlo simulations of solid-state photon upconversion quantitatively describe an anticorrelation between emission yield and threshold intensity due to FRET</titl>
        <parTitl xml:lang="en">Data for: Kinetic Monte Carlo simulations of solid-state photon upconversion quantitatively describe an anticorrelation between emission yield and threshold intensity due to FRET</parTitl>
        <IDNo agency="SND">2026-250-1</IDNo>
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    <citation>
      <titlStmt>
        <titl xml:lang="sv">Data for: Kinetic Monte Carlo simulations of solid-state photon upconversion quantitatively describe an anticorrelation between emission yield and threshold intensity due to FRET</titl>
        <parTitl xml:lang="en">Data for: Kinetic Monte Carlo simulations of solid-state photon upconversion quantitatively describe an anticorrelation between emission yield and threshold intensity due to FRET</parTitl>
        <IDNo agency="SND">2026-250-1</IDNo>
        <IDNo agency="DOI">https://doi.org/10.5878/s95m-7z37</IDNo>
        <IDNo agency="DOI">10.1016/j.chempr.2026.103293</IDNo>
      </titlStmt>
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        <AuthEnty xml:lang="en" affiliation="University of Gothenburg">Börjesson, Karl</AuthEnty>
        <AuthEnty xml:lang="sv" affiliation="Göteborgs universitet">Börjesson, Karl</AuthEnty>
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        <distrbtr xml:lang="sv" abbr="SND" URI="https://snd.se">Svensk nationell datatjänst</distrbtr>
        <distDate xml:lang="en" date="2026-10-15" />
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        <keyword xml:lang="sv" vocab="GEMET" vocabURI="http://www.eionet.europa.eu/gemet/concept/10039">fysikalisk kemi</keyword>
        <keyword xml:lang="en" vocab="GEMET" vocabURI="http://www.eionet.europa.eu/gemet/concept/7992">spectroscopy</keyword>
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      <abstract xml:lang="en" contentType="abstract">The raw data and the scripts used to perform simulations for the article "Kinetic Monte Carlo simulations of solid-state photon upconversion quantitatively describe an anticorrelation between emission yield and threshold intensity due to FRET" by Krishnapriya Kunnumma Chelladath, Anton M. Berghuis, Hannah Tideland, Andrew J. Carrod and Karl Börjesson are here stored.

The data consist of:

	Raw and processed absorption and emission spectra for various BODIPY and porphyrin films.
	Dynamic and static emission quenching of BODIPY in presence of porphyrin in film.
	Monte Carlo simulations
	Scripts used for the Monte Carlo simulations
 
The first part of the filename indicate to which figure in the article that the data belongs to. The file ending describes what type of data that the file consist of:

".txt" tab delimited raw data file.
".svg" figure file, originally compiled using the Inkscape software.
".opju" figure file, made using the data in the corresponding ".txt" file, can be opened using he Origin software.
".zip" compressed (by 7-zip) output files from simulations. The script used for simulations is named "Sim_Script_Matlab.zip" and needs the sofware MatLab to run. 

The simulation script consists of:

	A main script "main_TTA_diffusion", from where the script is run
	A file where all input data is defined "SimulationVariables"
	Parameters can be swept using the "MakeSweepFilesJSON" file
	Several functions that should not be changed

The simulation script generates an output folder containing all output data together with the variables used in the input data file.</abstract>
      <abstract xml:lang="sv" contentType="abstract">Rådata och skript som användes för att utföra simuleringar för artikeln "Kinetic Monte Carlo simulations of solid-state photon upconversion quantitatively describe an anticorrelation between emission yield and threshold intensity due to FRET" av Krishnapriya Kunnumma Chelladath, Anton M. Berghuis, Hannah Tideland, Andrew J. Carrod och Karl Börjesson finns här lagrade.

Data innehåller:

Rå- och bearbetade absorptions- och emissionsspektra för olika BODIPY och porfyrinfilmer.
Dynamisk och statisk emissionssläckning av BODIPY med Porfyrin i film.

Monte Carlo-simuleringar.
Skript som används för Monte Carlo-simuleringarna.
 
Den första delen av filnamnet anger vilken figur i artikeln som data tillhör. Filändelsen beskriver vilken typ av data som filen består av:

".txt" tabbavgränsad rådatafil.
".svg" figurfil, ursprungligen kompilerad med programvaran Inkscape.
".opju"-figurfilen, gjord med hjälp av data i motsvarande ".txt"-fil, kan öppnas med Origin-programvaran.
".zip" komprimerade (med 7-zip) utdatafiler från simuleringar. Skriptet som används för simuleringar heter "Sim_Script_Matlab.zip" och behöver programvaran MatLab för att köras. 

Simuleringsskriptet består av:

Ett huvudskript, "main_TTA_diffusion", från vilket simuleringen körs.
En fil där alla indata definieras, "SimulationVariables".
Möjlighet att svepa parametrar med hjälp av filen "MakeSweepFilesJSON".
Flera funktioner som inte bör ändras.
 
Simuleringsskriptet genererar en utdata-mapp som innehåller all utdata tillsammans med de variabler som användes i indatafilen.</abstract>
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        <restrctn xml:lang="en">Access to data through SND. Data are freely accessible.</restrctn>
        <restrctn xml:lang="sv">Åtkomst till data via SND. Data är fritt tillgängliga.</restrctn>
        <conditions elementVersion="info:eu-repo-Access-Terms vocabulary">openAccess</conditions>
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        <citation>
          <titlStmt>
            <titl xml:lang="sv">Krishnapriya Kunnumma Chelladath, Anton M. Berghuis, Hannah Tideland, Andrew J. Carrod and Karl Börjesson
Kinetic Monte Carlo simulations of solid-state photon upconversion quantitatively describe an anticorrelation between emission yield and threshold intensity due to FRET
Chem, 2026
https://doi.org/10.1016/j.chempr.2026.103293</titl>
            <parTitl xml:lang="en">Krishnapriya Kunnumma Chelladath, Anton M. Berghuis, Hannah Tideland, Andrew J. Carrod and Karl Börjesson
Kinetic Monte Carlo simulations of solid-state photon upconversion quantitatively describe an anticorrelation between emission yield and threshold intensity due to FRET
Chem, 2026
https://doi.org/10.1016/j.chempr.2026.103293</parTitl>
            <IDNo agency="DOI">10.1016/j.chempr.2026.103293</IDNo>
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            <distDate date="2026">2026</distDate>
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        </citation>
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