Cyclohexadiene and Butatriene MCTDH/vMCG/TSH

DOI

The datasets contain the results from quantum dynamics simulations on cyclohexadiene and butatriene using both analytical potentials and direct dynamics. They were produced using the Quantics package and different methods : MCTDH, vMCG and TSH.

Identifier
DOI https://doi.org/10.5522/04/16592669.v1
Related Identifier HasPart https://ndownloader.figshare.com/files/30716963
Related Identifier HasPart https://ndownloader.figshare.com/files/30716969
Related Identifier HasPart https://ndownloader.figshare.com/files/30716984
Related Identifier HasPart https://ndownloader.figshare.com/files/30716990
Related Identifier HasPart https://ndownloader.figshare.com/files/30717008
Related Identifier HasPart https://ndownloader.figshare.com/files/30717017
Related Identifier HasPart https://ndownloader.figshare.com/files/30717020
Metadata Access https://api.figshare.com/v2/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:figshare.com:article/16592669
Provenance
Creator Worth, Graham; Coonjobeeharry, Jaymee; Doslic, Nadja; Sanz-Sanz, Cristina ORCID logo; Spinlove, Kaite; Sapanur, Marin
Publisher University College London UCL
Contributor Figshare
Publication Year 2021
Rights https://creativecommons.org/publicdomain/zero/1.0/
OpenAccess true
Contact researchdatarepository(at)ucl.ac.uk
Representation
Language English
Resource Type Dataset
Discipline Chemistry; Natural Sciences; Physics