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Roope Halonen
Roope Halonen
Center for Joint Quantum Studies, School of Science, Tianjin University
Adresse e-mail validée de tju.edu.cn
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Modeling the formation and growth of atmospheric molecular clusters: A review
J Elm, J Kubečka, V Besel, MJ Jääskeläinen, R Halonen, T Kurten, ...
Journal of Aerosol Science 149, 105621, 2020
1092020
New particle formation from sulfuric acid and amines: Comparison of monomethylamine, dimethylamine, and trimethylamine
T Olenius, R Halonen, T Kurtén, H Henschel, O Kupiainen‐Määttä, ...
Journal of Geophysical Research: Atmospheres 122 (13), 7103-7118, 2017
1012017
Atmospheric fate of monoethanolamine: enhancing new particle formation of sulfuric acid as an important removal process
HB Xie, J Elm, R Halonen, N Myllys, T Kurten, M Kulmala, H Vehkamaki
Environmental science & technology 51 (15), 8422-8431, 2017
982017
Coupled cluster evaluation of the stability of atmospheric acid–base clusters with up to 10 molecules
N Myllys, J Elm, R Halonen, T Kurten, H Vehkamaki
The Journal of Physical Chemistry A 120 (4), 621-630, 2016
912016
Formation of atmospheric molecular clusters consisting of sulfuric acid and C 8 H 12 O 6 tricarboxylic acid
J Elm, N Myllys, T Olenius, R Halonen, T Kurten, H Vehkamäki
Physical Chemistry Chemical Physics 19 (6), 4877-4886, 2017
502017
Rate enhancement in collisions of sulfuric acid molecules due to long-range intermolecular forces
R Halonen, E Zapadinsky, T Kurtén, H Vehkamäki, B Reischl
Atmospheric Chemistry and Physics 19 (21), 13355-13366, 2019
412019
Effect of conformers on free energies of atmospheric complexes
L Partanen, H Vehkamaki, K Hansen, J Elm, H Henschel, T Kurten, ...
The Journal of Physical Chemistry A 120 (43), 8613-8624, 2016
412016
Homogeneous nucleation of carbon dioxide in supersonic nozzles I: experiments and classical theories
KK Dingilian, R Halonen, V Tikkanen, B Reischl, H Vehkamäki, ...
Physical Chemistry Chemical Physics 22 (34), 19282-19298, 2020
202020
The missing base molecules in atmospheric acid–base nucleation
R Cai, R Yin, C Yan, D Yang, C Deng, L Dada, J Kangasluoma, ...
National science review 9 (10), nwac137, 2022
192022
Deviation from equilibrium conditions in molecular dynamic simulations of homogeneous nucleation
R Halonen, E Zapadinsky, H Vehkamäki
The Journal of Chemical Physics 148 (16), 2018
172018
Homogeneous nucleation of carbon dioxide in supersonic nozzles II: molecular dynamics simulations and properties of nucleating clusters
R Halonen, V Tikkanen, B Reischl, KK Dingilian, BE Wyslouzil, ...
Physical Chemistry Chemical Physics 23 (8), 4517-4529, 2021
132021
New particle formation from the vapor phase: From barrier-controlled nucleation to the collisional limit
KK Dingilian, M Lippe, J Kubečka, J Krohn, C Li, R Halonen, ...
The journal of physical chemistry letters 12 (19), 4593-4599, 2021
102021
A consistent formation free energy definition for multicomponent clusters in quantum thermochemistry
R Halonen
Journal of Aerosol Science 162, 105974, 2022
62022
Modeling approaches for atmospheric ion–dipole collisions: all-atom trajectory simulations and central field methods
I Neefjes, R Halonen, H Vehkamäki, B Reischl
Atmospheric Chemistry and Physics 22 (17), 11155-11172, 2022
42022
Nonisothermal nucleation in the gas phase is driven by cool subcritical clusters
V Tikkanen, B Reischl, H Vehkamäki, R Halonen
Proceedings of the National Academy of Sciences 119 (28), e2201955119, 2022
42022
Comments on “The proper view of cluster free energy in nucleation theories” by Runlong Cai and Juha Kangasluoma
R Halonen
Aerosol Science and Technology 56 (11), 976-979, 2022
22022
Shells in CO 2 clusters
JW Niman, BS Kamerin, VV Kresin, J Krohn, R Signorell, R Halonen, ...
Physical Chemistry Chemical Physics 24 (9), 5343-5350, 2022
12022
Assessment of Anharmonicities in Clusters: Developing and Validating a Minimum-Information Partition Function
R Halonen
2024
Further cautionary tales on thermostatting in molecular dynamics: Energy equipartitioning and non-equilibrium processes in gas-phase simulations
R Halonen, I Neefjes, B Reischl
The Journal of Chemical Physics 158 (19), 2023
2023
The cluster who came in from the cold: Nonisothermal nucleation in the gas phase is driven by cool subcritical clusters
V Tikkanen, B Reischl, H Vehkamäki, R Halonen
EGU General Assembly Conference Abstracts, EGU-12521, 2023
2023
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