Zobrazeno 1 - 10
of 14
pro vyhledávání: '"Ivo Neefjes"'
Autor:
Jakub Kubečka, Vitus Besel, Ivo Neefjes, Yosef Knattrup, Theo Kurtén, Hanna Vehkamäki, Jonas Elm
Publikováno v:
ACS Omega, Vol 8, Iss 47, Pp 45115-45128 (2023)
Externí odkaz:
https://doaj.org/article/09cb56b1f9d84e269b72244d67185a3c
Publikováno v:
Kubečka, J, Neefjes, I, Besel, V, Qiao, F, Xie, H-B & Elm, J 2023, ' Atmospheric Sulfuric Acid-Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning ', The journal of physical chemistry. A, vol. 127, no. 9, pp. 2091-2103 . https://doi.org/10.1021/acs.jpca.3c00068
The formation of molecular clusters and secondary aerosols in the atmosphere has a significant impact on the climate. Studies typically focus on the new particle formation (NPF) of sulfuric acid (SA) with a single base molecule (e.g., dimethylamine o
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a0a381def3c1f93d8e737d53b2c4adad
https://doi.org/10.1021/acs.jpca.3c00068
https://doi.org/10.1021/acs.jpca.3c00068
Autor:
Sandra K. W. Fomete, Jack S. Johnson, Nanna Myllys, Ivo Neefjes, Bernhard Reischl, Coty N. Jen
Publikováno v:
The Journal of Physical Chemistry A. 126:8240-8248
Atmospheric nucleation from precursor gases is a significant source of cloud condensation nuclei in the troposphere and thus can affect the Earth's radiative balance. Sulfuric acid, ammonia, and amines have been identified as key nucleation precursor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0c59e228a43e7bc885d3b32eb9cccd5d
https://doi.org/10.1021/acs.jpca.2c02072
https://doi.org/10.1021/acs.jpca.2c02072
Autor:
Huan Yang, Ivo Neefjes, Valtteri Tikkanen, Jakub Kubečka, Theo Kurtén, Hanna Vehkamäki, Bernhard Reischl
Publikováno v:
eISSN
Kinetics of collision-sticking processes between vapor molecules and clusters of low-volatility compounds govern the initial steps of atmospheric new particle formation. Conventional non-interacting hard-sphere models underestimate the collision rate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f19cbac22fa466ae5bcc2c2946707864
https://doi.org/10.5194/egusphere-egu23-6193
https://doi.org/10.5194/egusphere-egu23-6193
Publikováno v:
eISSN
Collisions between ions and dipolar molecules can facilitate the formation of atmospheric aerosol particles and play an important role in their detection in chemical ionization mass spectrometers. Conventionally, analytical models or simple parametri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::402315e2abeceea64e3c6c55ca8c999a
https://doi.org/10.5194/egusphere-egu23-14945
https://doi.org/10.5194/egusphere-egu23-14945
Molecular dynamics (MD) simulations of gas-phase chemical reactions are typically carried out on a small number of molecules near thermal equilibrium by means of various thermostatting algorithms. Correct equipartitioning of kinetic energy among tran
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ea42761ce0aed1b69b95a5ae24b661d
https://doi.org/10.26434/chemrxiv-2023-zgdm3
https://doi.org/10.26434/chemrxiv-2023-zgdm3
Publikováno v:
Physical Review B. 105
In insulating lanthanides, unquenched orbital momentum and weak crystal-field (CF) splitting of the atomic $J$ multiplet at lanthanide ions result in a highly ranked (multipolar) exchange interaction between them and a complex low-temperature magneti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2b5184064a7e438e4b47b2ce2aa7f6a
https://doi.org/10.1103/physrevb.105.144401
https://doi.org/10.1103/physrevb.105.144401
Publikováno v:
The Journal of chemical physics. 154(6)
Electron transfer processes between lanthanide activators are crucial for the functional behavior and performance of luminescent materials. Here, a multiconfigurational ab initio study reveals how direct metal-to-metal charge transfer (MMCT) between
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::37a062afd6474b283ce009c729bd214d
https://pubmed.ncbi.nlm.nih.gov/33588551
https://pubmed.ncbi.nlm.nih.gov/33588551