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An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants
Research article (Journal of Computational Chemistry, 2021) · cited 18× · AI/ML
An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants
Summary
An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants is a scholarly article[1].
Key Facts
An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants's instance of is recorded as scholarly article[2].
References
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APA4ort.xyz Knowledge Graph. (2026). An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants. Retrieved May 24, 2026, from https://4ort.xyz/entity/an-automatized-workflow-from-molecular-dynamic-simulation-to-quantum-chemical-methods-to-identify-elementary-reactions-a
MLA“An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants.” 4ort.xyz Knowledge Graph, 4ort.xyz, 24 May. 2026, https://4ort.xyz/entity/an-automatized-workflow-from-molecular-dynamic-simulation-to-quantum-chemical-methods-to-identify-elementary-reactions-a.
BibTeX@misc{4ortxyz_an-automatized-workflow-from-molecular-dynamic-simulation-to-quantum-chemical-methods-to-identify-elementary-reactions-a_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants}}, year = {2026}, url = {https://4ort.xyz/entity/an-automatized-workflow-from-molecular-dynamic-simulation-to-quantum-chemical-methods-to-identify-elementary-reactions-a}, note = {Accessed: 2026-05-24}}
LLM promptAccording to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): An automatized workflow from molecular dynamic simulation to quantum chemical methods to identify elementary reactions and compute reaction constants — https://4ort.xyz/entity/an-automatized-workflow-from-molecular-dynamic-simulation-to-quantum-chemical-methods-to-identify-elementary-reactions-a (retrieved 2026-05-24)
