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: 2017-10-05 09:47

Author: Henry Rzepa

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

FilenameSizeTypeDescription
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

DOIDescription
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

DOIDescription
10.1073/pnas.1709586114 Stabilizing a different cyclooctatetraene stereoisomer

Metadata

KeyValue
inchikey QYUOKDVDWIWQSE-UHFFFAOYSA-N

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