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OpenMolcas: From Source Code to Insight

Research article (Journal of Chemical Theory and Computation, 2019) · cited 1,128× · AI/ML
CreativeWork academia

Facts

6 properties
Instance of
scholarly article[2]
Publication date
September 11, 2019as of 2026-09-23
where from?
Source
OpenAlex
Edition
20260923 · as of 2026-09-23
Bronze
not in the catalog
Transform
4ort-mint · openalex:20260923 · version not recorded
Funded by grant
Nitroaromatics photophysics and photochemistry: a quantum dynamics study, Rational Design of Photoreceptor Mutants with Desired Photochemical Propertiesas of 2026-09-23
where from?
Source
OpenAlex
Edition
20260923 · as of 2026-09-23
Bronze
not in the catalog
Transform
4ort-mint · openalex:20260923 · version not recorded
Published in
Journal of Chemical Theory and Computationas of 2026-09-23
where from?
Source
OpenAlex
Edition
20260923 · as of 2026-09-23
Bronze
not in the catalog
Transform
4ort-mint · openalex:20260923 · version not recorded
Sponsor
European Commission, National Science Foundationas of 2026-09-23
where from?
Source
OpenAlex
Edition
20260923 · as of 2026-09-23
Bronze
not in the catalog
Transform
4ort-mint · openalex:20260923 · version not recorded
Title
OpenMolcas: From Source Code to Insightas of 2026-09-23
where from?
Source
OpenAlex
Edition
20260923 · as of 2026-09-23
Bronze
not in the catalog
Transform
4ort-mint · openalex:20260923 · version not recorded
🔖 Identifiers · 3
OpenAlex ID
W2972738436as of 2026-09-23
where from?
Source
OpenAlex
Edition
20260923 · as of 2026-09-23
Bronze
not in the catalog
Transform
4ort-mint · openalex:20260923 · version not recorded
DOI
10.1021/ACS.JCTC.9B00532as of 2026-09-23
where from?
Source
OpenAlex
Edition
20260923 · as of 2026-09-23
Bronze
not in the catalog
Transform
4ort-mint · openalex:20260923 · version not recorded
PubMed publication ID
31509407as of 2026-09-23
where from?
Source
OpenAlex
Edition
20260923 · as of 2026-09-23
Bronze
not in the catalog
Transform
4ort-mint · openalex:20260923 · version not recorded
📚 Sources · 1

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📜 Data licence
Source: OpenAlex (openalex.org), snapshot of 2026-09-23. CC0 1.0 Universal. CC0 1.0 Universal · OpenAlex
🔗 Connections
Authored by 23
Leticia González, Donald Truhlar, Laura Gagliardi, Ali Alavi, Markus Reiher, Alexander Zech, Andreas Dreuw, Celestino Angeli +15 more
← Author of 23
Leticia González, Donald Truhlar, Laura Gagliardi, Ali Alavi, Markus Reiher, Alexander Zech, Andreas Dreuw, Celestino Angeli +15 more
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Summary

OpenMolcas: From Source Code to Insight is a scholarly article[1].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). OpenMolcas: From Source Code to Insight. Retrieved October 18, 2026, from https://4ort.xyz/entity/openmolcas-from-source-code-to-insight
MLA “OpenMolcas: From Source Code to Insight.” 4ort.xyz Knowledge Graph, 4ort.xyz, 18 Oct. 2026, https://4ort.xyz/entity/openmolcas-from-source-code-to-insight.
BibTeX @misc{4ortxyz_openmolcas-from-source-code-to-insight_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{OpenMolcas: From Source Code to Insight}}, year = {2026}, url = {https://4ort.xyz/entity/openmolcas-from-source-code-to-insight}, note = {Accessed: 2026-10-18}}
LLM prompt According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): OpenMolcas: From Source Code to Insight — https://4ort.xyz/entity/openmolcas-from-source-code-to-insight (retrieved 2026-10-18)

Canonical URL: https://4ort.xyz/entity/openmolcas-from-source-code-to-insight · Last refreshed: