Výsledky vyhledávání - "Simon Edelmann"

Akademický článek

Phase Optimized Photoacoustic Sensing of Gas Mixtures

Autor: Mario Mordmueller, Simon Edelmann, Markus Knestel, Wolfgang Schade, Ulrike Willer

Publikováno v: Applied Sciences, Vol 10, Iss 2, p 438 (2020)

In this paper, we report on the progress of the auto-triggered quartz-enhanced photoacoustic spectroscopy (QEPAS) technique which operates without external frequency generators and ensures permanent locking to the current resonance frequency of the t

Externí odkaz: https://doaj.org/article/5480a5fe89a947f8a96d7b46936e382b

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Correction to 'BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials'

Autor: Viki Kumar Prasad, Zhipeng Pei, Simon Edelmann, Alberto Otero-de-la-Roza, Gino A. DiLabio

Publikováno v: Journal of Chemical Theory and Computation. 18:4041-4044

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::9b038b7f25bb78dae24f933d5333ae48
https://doi.org/10.1021/acs.jctc.2c00362

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BH9, a New Comprehensive Benchmark Dataset for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials

Autor: Gino A. DiLabio, Simon Edelmann, Viki Kumar Prasad, Alberto Otero-de-la-Roza, Zhipeng Pei

The calculation of accurate reaction energies and barrier heights is essential in computational studies of reaction mechanisms and thermochemistry. In order to assess methods regarding their ability to predict these two properties, high-quality bench

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::41133b1507c95b6dad991dfb4328e3be
https://doi.org/10.33774/chemrxiv-2021-mdjwx

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