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Half‐Way Bayesian Calibration for Assessing Uncertainties in Quantum Chemistry Guided Catalyst Optimization

Year: 2026

Type: article

Source: Journal of Computational Chemistry

DOI: 10.1002/jcc.70543

Authors: Michael G. Medvedev, Sofya P. Tyukina, Maria V. Panova, Artem O. Dmitrienko

Institutions: National Research University Higher School of Economics, Russian Academy of Sciences, N.D. Zelinsky Institute of Organic Chemistry, Shenzhen MSU-BIT University

Language: English

Topic: Advanced Chemical Physics Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: closed

OpenAlex ID: W7225801969

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Cites: 65

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