Metadata:
Title: | /NBO pOiPr_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/100/197852 |
Appears in Collections: | Benzylpyridinium_Thermometer_Ion_Fragmentation - DOI: 10.19061/iochem-bd-6-88 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/197852