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  3. Benzylpyridinium_Thermometer_Ion_Fragmentation

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pOEt_Zoom_NEB.inpDownload
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pOEt_Zoom_NEB_MEP.allxyzDownload
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pOEt_Ei_TS.inpDownload
output.cmlDownload

Metadata:

Title: /Proton_Transfer_Transition_States/DFT 4-ethoxybenzylium_Intramolecular_Elimination_TS
Authors: Ieritano, Christian
Issue Date: 5-May-2021
Publisher: Barcelona Supercomputing Center
Description: Transition state and NEB minimum energy pathway for the intramolecular elimination occurring in the 4-ethoxybenzylium ion
URI: https://iochem-bd.bsc.es/browse/handle/100/197782
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/100/197782

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