Predicting hydrogen atom transfer energy barriers using Gaussian process regression

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SEEK ID: https://publications.h-its.org/publications/1987

Filename: d4dd00174e.pdf 

Format: PDF document

Size: 1.33 MB

SEEK ID: https://publications.h-its.org/publications/1987

DOI: 10.1039/D4DD00174E

Research Groups: Computational Statistics

Publication type: Journal

Journal: Digital Discovery

Publisher: Royal Society of Chemistry (RSC)

Citation: Digital Discovery, published online

Date Published: 2025

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Registered Mode: manually

Authors: Evgeni Ulanov, Ghulam A. Qadir, Kai Riedmiller, Pascal Friederich, Frauke Gräter

Citation
Ulanov, E., Qadir, G. A., Riedmiller, K., Friederich, P., & Gräter, F. (2025). Predicting hydrogen atom transfer energy barriers using Gaussian process regression. In Digital Discovery. Royal Society of Chemistry (RSC). https://doi.org/10.1039/d4dd00174e
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Created: 22nd Jan 2025 at 11:10

Last updated: 22nd Jan 2025 at 11:11

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