The DOI matches its Crossref record; 58 of the 58 references it cites were found in a registry or an index.
From reproducibility to comparability in computational photochemistry: lessons from the PhotoChem explorer prototype
Open accessPublished version of a preprint
Abstract
Shared, structured representations can link excited-state dynamics studies into knowledge that is easier to understand, compare, and reuse. PhotoChem Explorer explores what it takes to support more cumulative knowledge building in computational photochemistry.
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Berman, H. M. (2000) · Nucleic Acids Research · doi:10.1093/nar/28.1.235 · Cited by 40,196
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Wilkinson, M. D., Dumontier, M., Aalbersberg, I. J., Appleton, G., Axton, M., Baak, A., Blomberg, N., Boiten, J.-W., da Silva Santos, L. B., Bourne, P. E., et al. (2016) · Scientific Data · doi:10.1038/sdata.2016.18 · Cited by 18,423
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Tully, J. C. (1990) · The Journal of Chemical Physics · doi:10.1063/1.459170 · Cited by 3,985
Kim, S., Chen, J., Cheng, T., Gindulyte, A., He, J., He, S., Li, Q., Shoemaker, B. A., Thiessen, P. A., Yu, B., et al. (2023) · Nucleic Acids Research · doi:10.1093/nar/gkac956 · Cited by 3,443
A manifesto for reproducible science
Munafò, M. R., Nosek, B. A., Bishop, D. V. M., Button, K. S., Chambers, C. D., Percie du Sert, N., Simonsohn, U., Wagenmakers, E.-J., Ware, J. J., & Ioannidis, J. P. A. (2017) · Nature Human Behaviour · doi:10.1038/s41562-016-0021 · Cited by 3,397
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Research works printed but not linked: 12
- UNESCO , UNESCO Recommendation on Open Science , 2021
- Chakraborty, 2024, Wiley Interdiscip. Rev.: Comput. Mol. Sci., 14, e1715
- American Institute of Physics Prediction Challenge , Cyclobutanone Photochemistry , 2024 , https://pubs.aip.org/collection/16531/Prediction-Challenge-Cyclobutanone-Photochemistry , accessed: 2026-04-22
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Metadata
- Authors
- List, N. H., Gómez, S., Ibele, L. M., Curchod, B. F. E., & Avagliano, D.
- Affiliations
- Science for Life Laboratory (SE)
- Universidad Autónoma de Madrid (ES)
- Centre National de la Recherche Scientifique (FR)
- University of Bristol (GB)
- Corresponding author
- List, Nanna H.
- Venue
- Faraday Discussions
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2026
- ISSN
- 1359-6640 (ISSN-L)
- 1364-5498
- OpenAlex
- W7169779839
- Cited by
- 0
- References
- 58
- FWCI
- 0.00
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Locations
- Faraday Discussions (publishedVersion, cc-by)
- ChemRxiv (acceptedVersion, cc-by)
- PubMed (publishedVersion)
- PubMed Central (publishedVersion, cc-by)
- University of Birmingham Research Portal (University of Birmingham) (publishedVersion, cc-by)
- Explore Bristol Research (publishedVersion, cc-by)
- HAL AMU (submittedVersion)
- Bristol Research (University of Bristol) (submittedVersion, cc-by)
- Funders
- Vetenskapsrådet (2022-0287)
- Engineering and Physical Sciences Research Council (EP/V026690/1, EP/X026973/1, EP/Y01930X/1)
- Ministerio de Ciencia, Innovación y Universidades (PID2024-162002NB-I00, PID2024-155352NB-C21)
- Topics
- Social Sciences › Decision Sciences › Information Systems and Management › Scientific Computing and Data Management
- Physical Sciences › Computer Science › Information Systems › Research Data Management Practices
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Keywords
- reproducibility, comparability, web platform, excited-state dynamics, gas-phase molecules
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- CoChat. (2026). Citation check: From reproducibility to comparability in computational photochemistry: lessons from the PhotoChem explorer prototype. https://app.cochat.ai/papers/10.1039/d6fd00102e
- The paper
- List, N. H., Gómez, S., Ibele, L. M., Curchod, B. F. E., & Avagliano, D. (2026). From reproducibility to comparability in computational photochemistry: lessons from the PhotoChem explorer prototype. Faraday Discussions. https://doi.org/10.1039/d6fd00102e
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
