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Yosef Knattrup
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Year
Clusteromics IV: the role of nitric acid in atmospheric cluster formation
Y Knattrup, J Elm
ACS omega 7 (35), 31551-31560, 2022
122022
Quantum chemical modeling of organic enhanced atmospheric nucleation: A critical review
J Elm, D Ayoubi, M Engsvang, AB Jensen, Y Knattrup, J Kubečka, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (5), e1662, 2023
112023
Clusteromics V: Organic Enhanced Atmospheric Cluster Formation
D Ayoubi, Y Knattrup, J Elm
ACS omega 8 (10), 9621-9629, 2023
82023
Quantum chemical modeling of atmospheric molecular clusters involving inorganic acids and methanesulfonic acid
M Engsvang, H Wu, Y Knattrup, J Kubečka, AB Jensen, J Elm
Chemical Physics Reviews 4 (3), 2023
52023
Nitric Acid and Organic Acids Suppress the Role of Methanesulfonic Acid in Atmospheric New Particle Formation
Y Knattrup, J Kubečka, J Elm
The Journal of Physical Chemistry A 127 (36), 7568-7578, 2023
52023
Clusterome: a comprehensive data set of atmospheric molecular clusters for machine learning applications
Y Knattrup, J Kubečka, D Ayoubi, J Elm
ACS omega 8 (28), 25155-25164, 2023
52023
Current and future machine learning approaches for modeling atmospheric cluster formation
J Kubečka, Y Knattrup, M Engsvang, AB Jensen, D Ayoubi, H Wu, ...
Nature Computational Science 3 (6), 495-503, 2023
52023
Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters
H Wu, M Engsvang, Y Knattrup, J Kubecka, J Elm
ACS omega 8 (47), 45065-45077, 2023
22023
Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning
J Kubecka, V Besel, I Neefjes, Y Knattrup, T Kurtén, H Vehkamäki, J Elm
ACS omega 8 (47), 45115-45128, 2023
12023
Reparameterization of GFN1-xTB for Atmospheric Molecular Clusters: Applications to Multi-Acid–Multi-Base Systems
Y Knattrup, J Kubečka, H Wu, F Jensen, J Elm
2024
A cluster-of-functional-groups approach for studying organic enhanced atmospheric cluster formation
AN Pedersen, Y Knattrup, J Elm
Aerosol Research Discussions, 1-20, 2024
2024
Chlorine Oxyacids Potentially Contribute to Arctic Aerosol Formation
M Engsvang, Y Knattrup, J Kubecka, J Elm
Environmental Science & Technology Letters, 2024
2024
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Articles 1–12