HDA-2+4 mechanism,TS2, cis + HCl, p=OMe, IRC
DOI: 10.14469/hpc/4156 Metadata
Created: 2018-05-12 14:54
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian 16 calculation
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| log_10046461.out | 7MB | application/octet-stream | Gaussian output file |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/4068 | FAIR data for Acid Catalyzed Furanochromane Formation â Stepwise via an Oxonium Prins Reaction or Concerted via a Hetero Diels Alder Reaction? HCl catalyzed cis stereochemistry |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C18H18O3.ClH/c1-19-13-8-6-12(7-9-13)17-15-10-11-20-18(15)14-4-2-3-5-16(14)21-17;/h2-9,15,17-18H,10-11H2,1H3;1H/t15-,17-,18+;/m1./s1 |
| inchikey | HBHGXHAACXORRP-ZDJZOQRLSA-N |