https://github.com/aspuru-guzik-group/organic-molcules-with-inverted-gaps
Code and data for organic molecules with inverted singlet-triplet gaps.
https://github.com/aspuru-guzik-group/organic-molcules-with-inverted-gaps
Science Score: 36.0%
This score indicates how likely this project is to be science-related based on various indicators:
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○CITATION.cff file
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✓codemeta.json file
Found codemeta.json file -
○.zenodo.json file
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✓DOI references
Found 4 DOI reference(s) in README -
✓Academic publication links
Links to: zenodo.org -
○Academic email domains
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○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (4.1%) to scientific vocabulary
Repository
Code and data for organic molecules with inverted singlet-triplet gaps.
Basic Info
- Host: GitHub
- Owner: aspuru-guzik-group
- License: other
- Default Branch: main
- Size: 10.1 MB
Statistics
- Stars: 7
- Watchers: 6
- Forks: 3
- Open Issues: 0
- Releases: 1
Metadata Files
README.md
Supplementary Material for "Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet States and Appreciable Fluorescence Rates"
Robert Pollice, Pascal Friederich, Cyrille Lavigne, Gabriel dos Passos Gomes, Alán Aspuru-Guzik
Preprint: https://doi.org/10.26434/chemrxiv.13087319.v1
Paper: https://doi.org/10.1016/j.matt.2021.02.017
Contact: rob.pollice@utoronto.ca and aspuru@utoronto.ca
This repository contains template input files (inputs), computation results (results), optimized geometries (xyzs), a list of all compounds studied in the paper together with their SMILES (sinumberssmiles.txt), a document with images and labels of all compounds (compounds.pdf) and a list of compound labels used both in the main text and in the Supporting Information (mainsinumbers.txt).
License: 
CC BY-NC-SA 4.0
DOI: 
Owner
- Name: Aspuru-Guzik group repo
- Login: aspuru-guzik-group
- Kind: organization
- Website: http://aspuru.chem.harvard.edu/
- Repositories: 30
- Profile: https://github.com/aspuru-guzik-group
GitHub Events
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- Fork event: 1
Last Year
- Fork event: 1