Refereeing data for article PNAS MS# 2017-09586P entitled "A New Structure for Cyclooctatetraene"
DOI: 10.14469/hpc/2640 Metadata
Created: 2017-06-08 08:08
Last modified: 2019-02-05 16:48
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Refereeing data for an article entitled "A New Structure for Cyclooctatetraene" by L. Li, M. Lei, Y. Xie, H. F. Schaefer III, B. Chen and Roald Hoffmann. As submitted to the Proceedings of the National academy of Sciences and now retitled "Stabilizing a different cyclooctatetraene stereoisomer".
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| max-torsion.pdf | 214KB | application/pdf | CSD search results for trans-cyclo-octatetraenes. |
| Hoffmann.qry | 18KB | application/octet-stream | Search query for trans-cyclo-octatetraenes using Conquest |
| NBO.log | 410KB | chemical/x-gaussian-log | NBO analysis for system A26.H2 |
| A26.sum | 128KB | application/octet-stream | QTAIM Analysis for system A26.H2 |
| A26.H2.jpg | 337KB | image/jpeg | QTAIM Graphical Analysis for system A26.H2 |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/2641 | A1 |
| 10.14469/hpc/2642 | A2 |
| 10.14469/hpc/2643 | A3 |
| 10.14469/hpc/2644 | B3 |
| 10.14469/hpc/2645 | B2 |
| 10.14469/hpc/2646 | B1 |
| 10.14469/hpc/2647 | TS1 stable |
| 10.14469/hpc/2649 | TS3 |
| 10.14469/hpc/2651 | TS2 |
| 10.14469/hpc/2650 | TS1 |
| 10.14469/hpc/2655 | TS1 IRC |
| 10.14469/hpc/2656 | TS26 IRC |
Associated DOIs
| Current dataset ... | DOI | Description |
|---|---|---|
| References | 10.1073/pnas.1709586114 | Stabilizing a different cyclooctatetraene stereoisomer |
Subject Keywords
| Keyword | Value |
|---|---|
| inchikey | QYUOKDVDWIWQSE-UHFFFAOYSA-N |