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ZImaging-pdissn-iodothiophene-and-2-bromothiophene2-iodothiophene-and-2-bromothiophene2-IodothiopheneFebruary210214

Dataset Profile

Odm ID
1e43ca83-1df9-444d-8e6c-212197f135bc
Title
ZImaging-pdissn-iodothiophene-and-2-bromothiophene2-iodothiophene-and-2-bromothiophene2-IodothiopheneFebruary210214
Notes
Results-from-Bristol-experiments-on-photodissociation-of-gas-phase-2-bromo-and-2-iodothiopheneThe-deposited-data-is-in-four-directories-all-of-which-will-need-to-be-read-in-tandem-with-the-accompnaying-publication-and-electronic-supplementary-informationData-behind-the-SIMION-outputs-containsthe-primary-output-data-from-Simion-and-analysis-files2-bromothiophene-and-2-iodothiophene-containthe-raw-data-that-form-the-measured-images-experimental-conditions-for-which-are-given-in-LABBOOK2-Bromothiophenedocx-and-LABBOOKJANFEBRMARCHdocx-These-images-were-recorded-using-the-Labview-interface-and-outputted-in-2D-matrix-with-a-txt-directive-form-in-which-the-number-of-events-per-pixel-the-rows-and-columns-represent-the-number-of-events-per-pixel-These-were-then-analysed-using-a-Labview-executable-program-developed-by-the-University-of-Regensburg-described-by-Wenge-et-al-Phys-Chem-Chem-Phys-2010-12-4644-4655Theoreticalzip-Contains-1-The-spin-orbit-resolved-and-spin-orbit-free-CASPT2-calculations-for-2-Iodothiophene-and-2-Bromothiophene-along-the-C-halogen-and-ring-opening-coordinates-are-located-in-the-2-bromothiophene-and-2-iodothiophene-directories-2-Spin-orbit-free-calculations-along-the-ring-opening-coordinate-The-initial-MP2-relaxed-geometry-along-the-ring-opening-coordinates-are-in-the-2-iodothiophene-and-2-bromothiophenemain-directories-under-the-filenames-MP2ccpvdzRO3-The-various-optimised-ground-state-minima-and-transition-states-are-located-in-2-bromothiophenefragmentslarger-directory-for-2-bromothiophene-and-in-the-main-2-iodothiophene-directory-for-2-iodothiophene-
Author
Tolga-Karsili-Michael-Ashfold-Barbara-Marchetti-
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Metadata Updated
2015-10-11 18:05:31
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ckan
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en
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