oClPhB(OMe)2 Single B Catalyst - TS2 Def2tzvpp
DOI: 10.14469/hpc/11954 Metadata
Created: 2022-11-27 21:37
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 |
|---|---|---|---|
| TS2-tzvpp.log | 3MB | 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/C14H12BClO3.C7H9N.C7H6O2.CH4O/c1-18-15(12-9-5-6-10-13(12)16)19-14(17)11-7-3-2-4-8-11;8-6-7-4-2-1-3-5-7;8-7(9)6-4-2-1-3-5-6;1-2/h2-10H,1H3;1-5H,6,8H2;1-5H,(H,8,9);2H,1H3 |
| inchikey | QDFFVZPDPBNQTJ-UHFFFAOYSA-N |