oClPhB(OMe)2 Single B Catalyst - TS1 Def2tzvpp
DOI: 10.14469/hpc/11949 Metadata
Created: 2022-11-27 21:33
Last modified: 2022-12-10 13:18
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
PhCOOH + PhCH2NH2
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| opt-tzvpp-ok.log | 822KB | chemical/x-gaussian-log |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/11924 | oClPhB(OH)2 single B catalyst |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C7H7BClO.C7H7O2.C7H5O2.CH3O/c1-10-8-6-4-2-3-5-7(6)9;2*8-7(9)6-4-2-1-3-5-6;1-2/h2-5H,1H3;1-5,8-9H;1-5H;1H3 |
| inchikey | XFORGFJFZUZKNZ-UHFFFAOYSA-N |