Semi-Classical Transition State Theory (SCTST) Rate Coefficients for the Reaction of H and H2O2: A High-Level Theoretical Study

Thanh Lam Nguyen; Mahshid Manouchehri; Jozef Peeters; John F. Stanton

doi:10.1021/acs.jpca.5c04239

journal article Jul 30, 2025

Semi-Classical Transition State Theory (SCTST) Rate Coefficients for the Reaction of H and H2O2: A High-Level Theoretical Study

Thanh Lam Nguyen

Mahshid Manouchehri Jozef Peeters

John F. Stanton

The Journal of Physical Chemistry A · American Chemical Society (ACS)

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Details

Published: Jul 30, 2025
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Authors

T

Thanh Lam Nguyen

Quantum Theory Project, Departments of Chemistry and Physics; University of Florida

M

Mahshid Manouchehri

Department of Chemistry; University of Florida

J

Jozef Peeters

Department of Chemistry, University of Leuven, Celestijnenlaan 200F, B-3001 Heverlee, Belgium

J

John F. Stanton

Quantum Theory Project, Departments of Chemistry and Physics; University of Florida

Funding

Florida State University

Basic Energy Sciences Award: DE-SC0018164

Cite This Article

Thanh Lam Nguyen, Mahshid Manouchehri, Jozef Peeters, et al. (2025). Semi-Classical Transition State Theory (SCTST) Rate Coefficients for the Reaction of H and H2O2: A High-Level Theoretical Study. The Journal of Physical Chemistry A. https://doi.org/10.1021/acs.jpca.5c04239

Semi-Classical Transition State Theory (SCTST) Rate Coefficients for the Reaction of H and H2O2: A High-Level Theoretical Study

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