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Part 1: Document Description
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Citation |
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Title: |
Publication data for: "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" - data from Kästner group |
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Identification Number: |
doi:10.18419/darus-1459 |
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Distributor: |
DaRUS |
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Date of Distribution: |
2021-04-14 |
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Version: |
1 |
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Bibliographic Citation: |
Dietrich, Carolin; Schuldt, Robin; Born, Daniel; Solodenko, Helena; Schmitz, Guido; Kästner, Johannes, 2021, "Publication data for: "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" - data from Kästner group", https://doi.org/10.18419/darus-1459, DaRUS, V1 |
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Citation |
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Title: |
Publication data for: "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" - data from Kästner group |
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Identification Number: |
doi:10.18419/darus-1459 |
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Authoring Entity: |
Dietrich, Carolin (Universität Stuttgart) |
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Schuldt, Robin (Universität Stuttgart) |
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Born, Daniel (Universität Stuttgart) |
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Solodenko, Helena (Universität Stuttgart) |
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Schmitz, Guido (Universität Stuttgart) |
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Kästner, Johannes (Universität Stuttgart) |
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Grant Number: |
358283783 - SFB 1333 |
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Distributor: |
DaRUS |
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Access Authority: |
Dietrich, Carolin |
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Depositor: |
Dietrich, Carolin |
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Date of Deposit: |
2021-02-26 |
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Holdings Information: |
https://doi.org/10.18419/darus-1459 |
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Study Scope |
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Keywords: |
Chemistry, Density Functional Theory (DFT), Fragmentation, Field Evaporation, Strong Electric Fields |
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Topic Classification: |
Density-Functional Theory |
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Abstract: |
All primary data files and processed data of the journal article from Kästner group. Turbomole input and output files for all calculations used in the paper, one directory per case. |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Title: |
Carolin A. Dietrich, Robin Schuldt, Daniel Born, Helena Solodenko, Guido Schmitz, and Johannes Kästner "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" The Journal of Physical Chemistry A, 2020 124 (41), 8633-8642 |
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Identification Number: |
10.1021/acs.jpca.0c06887 |
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Bibliographic Citation: |
Carolin A. Dietrich, Robin Schuldt, Daniel Born, Helena Solodenko, Guido Schmitz, and Johannes Kästner "Evaporation and Fragmentation of Organic Molecules in Strong Electric Fields Simulated with DFT" The Journal of Physical Chemistry A, 2020 124 (41), 8633-8642 |
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Label: |
amino-undecanthiolate.zip |
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Notes: |
application/zip |
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Label: |
fluoro-decanethiolate.zip |
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Notes: |
application/zip |
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Label: |
sulfur.zip |
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Notes: |
application/zip |