This readme.txt file was generated on <20241013> by <Paul Dauenhauer>
Recommended citation for the data: Dauenhauer, Paul; Canavan, Jesse R; Hopkins, Justin A; Foley, Brandon R; Abdelrahman, Omar A. (2024). Data for Catalytic Resonance Theory: Turnover Efficiency and the Resonance Frequency. Retrieved from the Data Repository for the University of Minnesota (DRUM), https://doi.org/10.13020/egsm-k060.

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GENERAL INFORMATION
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1. Title:  Data for Catalytic Resonance Theory: Turnover Efficiency and the Resonance Frequency

2. Author Information

  Principal Investigator Contact Information
        Name: Paul J. Dauenhauer
           Institution: University of Minnesota
           Email:  hauer@umn.edu
	   ORCID: 0000-0001-5810-1953

	Name: Jesse R. Canavan
        Institution: University of Minnesota
        Email: canav021@umn.edu 

	Name: Justin A. Hopkins
        Institution: University of Minnesota
        Email: hopki361@umn.edu
	ORCID: 0000-0003-2325-3919

	Name: Brandon L. Foley
	ORCID: 0000-0001-5755-1485

	Name: Omar A. Abdelrahman
	ORCID: 0000-0001-6023-857X


3. Date published or finalized for release:  October 11, 2024

4. Date of data collection:  July to October, 2024

5. Geographic location of data collection:  Minneapolis, MN, USA

6. Information about funding sources that supported the collection of the data: This work was supported as part of the Center for Programmable Energy Catalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences at the University of Minnesota under award #DE-SC0023464. This work was performed in part under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

7. Overview of the data (abstract): The data were collected via simulation in Matlab r2019 and used in the data Figures 1-4 of the manuscript, "Catalytic Resonance Theory:  Turnover Efficiency and the Resonance Frequency"


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SHARING/ACCESS INFORMATION
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1. Licenses/restrictions placed on the data: Attribution-NonCommercial-NoDerivatives 4.0 International
http://creativecommons.org/licenses/by-nc-nd/4.0/

2. Links to publications that cite or use the data: 

	Jesse R. Canavan, Justin A. Hopkins, Brandon L. Foley, Omar A. Abdelrahman, Paul J. Dauenhauer, "Catalytic Resonance Theory: Turnover Efficiency and the Resonance Frequency"

3. Was data derived from another source?  No, data was obtained from simulations by the authors
           If yes, list source(s):

4. Terms of Use: Data Repository for the U of Minnesota (DRUM) By using these files, users agree to the Terms of Use. https://conservancy.umn.edu/pages/policies/#drum-terms-of-use


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DATA & FILE OVERVIEW
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1. File List
   A. Filename:  "Figure_01_dataset.xls"        
      Short description: A Microsoft Excel file containing all data used in Figure 1       

   B. Filename:  "Figure_02_dataset.xls"        
      Short description: A Microsoft Excel file containing all data used in Figure 2        
        
   C. Filename:  "Figure_03_dataset.xls"        
      Short description: A Microsoft Excel file containing all data used in Figure 3 

   D. Filename:  "Figure_04_dataset.xls"        
      Short description: A Microsoft Excel file containing all data used in Figure 4 

2. Relationship between files: All four files are data sets from the same manuscript         


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METHODOLOGICAL INFORMATION
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1. Description of methods used for collection/generation of data: ata were generated via simulation in Matlab r2019

2. Methods for processing the data: Data were analyzed in Microsoft Excel

3. Instrument- or software-specific information needed to interpret the data:  None

4. Standards and calibration information, if appropriate:  Not applicable

5. Environmental/experimental conditions:  Not applicable

6. Describe any quality-assurance procedures performed on the data:  Simulations were conducted by more than one researcher and compared

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DATA-SPECIFIC INFORMATION
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Figure 01: 8 worksheets: Summary, Table S1.1, Table S1.2, Table S1.3, Table S1.4, Table S1.5 (A,B,C), Table S1.6 (A,B,C), Table S1.7(A,B,C)

Figure 02: 9 worksheets: Summary, Figure S2.1, Figure S2.2, Figure S2.3, Figure S2.4, Figure S2.5 , Figure S2.6, Figure S2.7, Figure S2.8

Figure 03: 9 worksheets: Summary, Table S3.1, Table S3.2, Table S3.3, Table S3.4, Table S3.5 , Table S3.6, Table S3.7, Table S3.8

Figure 04: 9 worksheets: Summary, Table S4.1, Table S4.2, Table S4.3, Table S4.4, Table S4.5 , Table S4.6, Table S4.7, Table S4.8


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DATA TREE
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Readme_Dauenhauer_CRT_Eff_Rates.txt
Figure_01_dataset.xlsx 
Figure_02_dataset.xlsx 
Figure_03_dataset.xlsx 
Figure_04_dataset.xlsx