Leonid Maximowitsch Komissarov

Publications

A1 publications

Published

2023

[A1 Publication] A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part II: A ChemTraYzer Study of Chlorinated Dibenzofuran Formation and Decomposition Processes

Authors

Krep L.; Schmalz F.; Solbach F.; Komissarov L.; Nevolianis T.; Kopp W. A.; Verstraelen T.; Leonhard K.

ChemPhysChem 2023. 24(7) IF: 2.2 140/185 [Q4]

http://dx.doi.org/10.1002/cphc.202200783

[A1 Publication] A Reactive Molecular Dynamics Study of Chlorinated Organic Compounds. Part I: Force Field Development

Authors

Komissarov L.; Krep L.; Schmalz F.; Kopp W. A.; Leonhard K.; Verstraelen T.

ChemPhysChem 2023. 24(6) IF: 2.3 126/178 [Q3]

https://doi.org/10.1002/cphc.202200786

2022

[A1 Publication] Zeo-1: A computational data set of zeolite structures

Authors

Komissarov L.; Verstraelen T.

Scientific Data 2022.

http://dx.doi.org/10.1038/s41597-022-01160-5

2021

[A1 Publication] Improving the Silicon Interactions of GFN-xTB

Authors

Komissarov L.; Verstraelen T.

Journal of Chemical Information and Modeling 2021. 61(12): 5931 - 5937. IF: 6.162 29/164 [Q1]

http://dx.doi.org/10.1021/acs.jcim.1c01170

[A1 Publication] ParAMS: Parameter Optimization for Atomistic and Molecular Simulations

Authors

Komissarov L.; Rüger R.; Hellström M.; Verstraelen T.

Journal of Chemical Information and Modeling 2021.

http://dx.doi.org/10.1021/acs.jcim.1c00333

Other publications

Dissertations [MSc and PhD]

PhD thesis

2022

[PhD Thesis] Optimizing Potential Energy Surface Models

Authors

Komissarov L.

Supervisor(s):

prof. dr. ir. Toon Verstraelen

PhD, 22/04/2022.

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

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Leonid Maximowitsch Komissarov

Publications

A1 publications

Published

2023

2022

2021

Other publications

Dissertations [MSc and PhD]

PhD thesis

2022

Contact information

References