Photocatalytic chloride-to-chlorine conversion by ionic iron in aqueous aerosols: a combined experimental, quantum chemical, and chemical equilibrium model study

Autor: M. K. Mikkelsen, J. B. Liisberg, M. M. J. W. van Herpen, K. V. Mikkelsen, M. S. Johnson

Publikováno v: Aerosol Research, Vol 2, Pp 31-47 (2024)

Prior aerosol chamber experiments show that the ligand-to-metal charge transfer absorption in iron(III) chlorides can lead to the production of chlorine (Cl2/Cl). Based on this mechanism, the photocatalytic oxidation of chloride (Cl−) in mineral du

Externí odkaz: https://doaj.org/article/3e8a343487a64aa4a96132203b5378de

Structures and reaction rates of the gaseous oxidation of SO2 by an O3−(H2O)0-5 cluster – a density functional theory investigation

Autor: J. O. P. Pedersen, K. V. Mikkelsen, H. Svensmark, M. B. Enghoff, T. Kurtén, N. Bork

Publikováno v: Atmospheric Chemistry and Physics, Vol 12, Iss 8, Pp 3639-3652 (2012)

Based on density functional theory calculations we present a study of the gaseous oxidation of SO2 to SO3 by an anionic O3−(H2O)n cluster, n = 0–5. The configurations of the most relevant reactants, transition states, and products are discussed a

Externí odkaz: https://doaj.org/article/ea4fb65dd4384f3188e1f57aec171866

Book Review: Introduction to Molecular Dynamics and Chemical Kinetics. By G. D. Billing and K. V. Mikkelsen

Autor: Ernsting, Nikolaus P., Heineking, Nils

Publikováno v: Angewandte Chemie. International Edition; April 1997, Vol. 36 Issue: 6 p654-655, 2p

Structures and reaction rates of the gaseous oxidation of SO2 by an O3−(H2O)0-5 cluster – a density functional theory investigation

Autor: K. V. Mikkelsen, Theo Kurtén, Henrik Svensmark, Nicolai Bork, Martin Andreas Bødker Enghoff, Jens Olaf Pepke Pedersen

Publikováno v: Atmospheric Chemistry and Physics. 12:3639-3652

Based on density functional theory calculations we present a study of the gaseous oxidation of SO2 to SO3 by an anionic O3−(H2O)n cluster, n = 0–5. The configurations of the most relevant reactants, transition states, and products are discussed a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::a931871ffc2f2a00d15c8ca3348e53da
https://doi.org/10.5194/acp-12-3639-2012

Synthesis, Characterization and Interconversion of p-Tolylsulfone-Functionalized Norbornadiene/Quadricyclane Couples.

Autor: Krappmann D; Department Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nikolaus-Fiebiger Straße 10, 91058, Erlangen, Germany., Hirsch A; Department Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg, Nikolaus-Fiebiger Straße 10, 91058, Erlangen, Germany.

Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany) [Chemistry] 2024 Oct 01; Vol. 30 (55), pp. e202401391. Date of Electronic Publication: 2024 Sep 03.