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  3. Benzylpyridinium_Thermometer_Ion_Fragmentation

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pOEt_NBO.fchkDownload
pOEt_NBO.logDownload
pOEt_Ei_TS_Arthur_2.gjfDownload
output.cmlDownload

Metadata:

Title: /NBO pOEt_Ei_TS_NBO
Authors: Ieritano, Christian
Keywords: syn periplanar elimination
DFT
Elimination reaction
Benzylium
4-membered transition state
DLPNO-CCSDT
Benzylpyridinium
Issue Date: 7-May-2021
Publisher: Watermine Innovation
Department of Chemistry, University of Waterloo
Waterloo Institute for Nanotechnology, University of Waterloo
Description: NBO output and fchk files are in the "additional files" in the download section due to file recognition issues. Output file in main entry is just a placeholder for the transition state.
URI: https://iochem-bd.bsc.es/browse/handle/100/197853
Appears in Collections:Benzylpyridinium_Thermometer_Ion_Fragmentation - DOI: 10.19061/iochem-bd-6-88

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Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/197853

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