Published June 29, 2024 | Version v1
Dataset Open

The data for the work of 'Using non-adiabatic excitation transfer for signal transmission between molecular logic gates'

Authors/Creators

  • 1. ROR icon National Research University of Electronic Technology
  • 2. ROR icon Lomonosov Moscow State University

Description

There are input and output data for calculation of non-adiabatic transfer rates which was performed using the NATRC program. It was calculated rates for transfer and relaxation of an exciton in the molecule of 3H-thioxanthene-TTF-dibenzo-BODIPY.  The study was carried out using three isomers of this molecule: 'Chain', 'Line' and 'S-line'

Files

NATRC calculation for the article.zip

Files (518.0 MB)

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md5:3a78a8b49ee54aab552789fc9725f88c
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Additional details

Related works

Describes
10.26434/chemrxiv-2023-x1dj0-v2 (DOI)

Funding

The Ministry of Education and Science of the Russian Federation

Software

Repository URL
https://github.com/Arthur140/NATRC
Programming language
Fortran
Development Status
Active