Articles | Volume 11, issue 14
https://doi.org/10.5194/acp-11-7133-2011
© Author(s) 2011. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
https://doi.org/10.5194/acp-11-7133-2011
© Author(s) 2011. This work is distributed under
the Creative Commons Attribution 3.0 License.
the Creative Commons Attribution 3.0 License.
Research article
| 
21 Jul 2011
Research article |
| 21 Jul 2011
Ab initio studies of O2−(H2O)n and O3−(H2O)n anionic molecular clusters, n≤12
N. Bork
National Space Institute, Technical University of Denmark, Juliane Maries Vej 30, 2100 Copenhagen Ø, Denmark
T. Kurtén
Department of Chemistry, H.C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø, Denmark
Division of Atmospheric Sciences and Geophysics, Dept. of Physics, P.O. Box 64, 00014 University of Helsinki, Finland
M. B. Enghoff
National Space Institute, Technical University of Denmark, Juliane Maries Vej 30, 2100 Copenhagen Ø, Denmark
J. O. P. Pedersen
National Space Institute, Technical University of Denmark, Juliane Maries Vej 30, 2100 Copenhagen Ø, Denmark
K. V. Mikkelsen
Department of Chemistry, H.C. Ørsted Institute, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø, Denmark
H. Svensmark
National Space Institute, Technical University of Denmark, Juliane Maries Vej 30, 2100 Copenhagen Ø, Denmark
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Cited
38 citations as recorded by crossref.
- Reactions and Reaction Rate of Atmospheric SO2 and O3– (H2O)n Collisions via Molecular Dynamics Simulations N. Bork et al. 10.1021/jp311103z
- Response of cloud condensation nuclei (>50 nm) to changes in ion-nucleation H. Svensmark et al. 10.1016/j.physleta.2013.07.004
- Assessment of binding energies of atmospherically relevant clusters J. Elm et al. 10.1039/c3cp52616j
- Hydration of glycolic acid sulfate and lactic acid sulfate: Atmospheric implications N. Tsona & L. Du 10.1016/j.atmosenv.2019.116921
- The atomic structure of protons and hydrides in Sm1.92Ca0.08Sn2O7−δ pyrochlore from DFT calculations and FTIR spectroscopy N. Bork et al. 10.1063/1.4737786
- Solution Structure of Energy Stored System I: Aqua-B(OH)4–: A DFT, Car–Parrinello Molecular Dynamics, and Raman Study Y. Zhou et al. 10.1021/jp405708e
- Interaction of Glycine with Common Atmospheric Nucleation Precursors J. Elm et al. 10.1021/jp408962c
- Screening of a dust particle charge in a humid air plasma created by an electron beam A. Filippov et al. 10.1088/1742-6596/946/1/012148
- Photoelectron imaging and photodissociation of ozonide in O3− ⋅ (O2)n (n = 1-4) clusters J. Mann et al. 10.1063/1.4916048
- Structures and reaction rates of the gaseous oxidation of SO<sub>2</sub> by an O<sub>3</sub><sup>−</sup>(H<sub>2</sub>O)<sub>0-5</sub> cluster – a density functional theory investigation N. Bork et al. 10.5194/acp-12-3639-2012
- On the gas-phase reaction between SO2 and O2−(H2O)0–3 clusters – an ab initio study N. Tsona et al. 10.1039/C3CP54715A
- Hydration effect of selected atmospheric gases with finite water clusters: A quantum chemical investigation towards atmospheric implications S. Syamlal et al. 10.1016/j.chemosphere.2022.135947
- Visible spectrum photofragmentation of O3−(H2O)n, n ≤ 16 J. Lehman & W. Lineberger 10.1063/1.4898373
- Structure of aqueous cesium metaborate solutions by X-ray scattering and DFT calculation W. Zhang et al. 10.1016/j.molstruc.2017.12.099
- Exploring the atmospheric chemistry of O<sub>2</sub>SO<sub>3</sub><sup>−</sup> and assessing the maximum turnover number of ion-catalysed H<sub>2</sub>SO<sub>4</sub> formation N. Bork et al. 10.5194/acp-13-3695-2013
- Effect of Conformers on Free Energies of Atmospheric Complexes L. Partanen et al. 10.1021/acs.jpca.6b04452
- Electron detachment dynamics of O2−(H2O): direct ab initio molecular dynamics (AIMD) approach H. Tachikawa 10.1039/C3RA45753B
- Methane sulfonic acid-enhanced formation of molecular clusters of sulfuric acid and dimethyl amine N. Bork et al. 10.5194/acp-14-12023-2014
- Proton mobility and stability of water clusters containing alkali metal ions A. Zatula et al. 10.1016/j.ijms.2012.07.017
- Hydration of acetic acid-dimethylamine complex and its atmospheric implications J. Li et al. 10.1016/j.atmosenv.2019.117005
- Temperature dependence of ion mobility signals of halogenated compounds H. Borsdorf & T. Mayer 10.1016/j.talanta.2012.08.049
- Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters J. Elm et al. 10.1039/C4CP01206B
- Reactions of microhydrated ozonide with methyl chloride J. Lengyel et al. 10.1016/j.ijms.2018.10.022
- Influence of Nucleation Precursors on the Reaction Kinetics of Methanol with the OH Radical J. Elm et al. 10.1021/jp4051269
- Accuracy of Ion Mobility Measurements Dependent on the Influence of Humidity T. Mayer & H. Borsdorf 10.1021/ac5007393
- Negative Reactant Ion Formation in High Kinetic Energy Ion Mobility Spectrometry (HiKE-IMS) M. Allers et al. 10.1021/jasms.0c00126
- From O2–-Initiated SO2 Oxidation to Sulfate Formation in the Gas Phase N. Tsona et al. 10.1021/acs.jpca.8b03381
- Exploring the chemical fate of the sulfate radical anion by reaction with sulfur dioxide in the gas phase N. Tsona et al. 10.5194/acp-15-495-2015
- An isotopic analysis of ionising radiation as a source of sulphuric acid M. Enghoff et al. 10.5194/acp-12-5319-2012
- Ab Initio Molecular Dynamics Investigation of the Electronic and Structural Stability of Anionic O2–(H2O)n, n = 1–16 Clusters N. Gregory et al. 10.1021/acs.jpca.9b04510
- Effects of Global and Local Anharmonicities on the Thermodynamic Properties of Sulfuric Acid Monohydrate L. Partanen et al. 10.1021/acs.jctc.6b00683
- Photo-Reaction Mechanism of the Hydrated Superoxide Anion: A Theoretical Study H. Tachikawa & T. Fukuzumi 10.1007/s10953-014-0167-2
- Simultaneous detection of ozone and nitrogen dioxide by oxygen anion chemical ionization mass spectrometry: a fast-time-response sensor suitable for eddy covariance measurements G. Novak et al. 10.5194/amt-13-1887-2020
- A potential source of atmospheric sulfate from O<sub>2</sub><sup>−</sup>-induced SO<sub>2</sub> oxidation by ozone N. Tsona & L. Du 10.5194/acp-19-649-2019
- Bidirectional Interaction of Alanine with Sulfuric Acid in the Presence of Water and the Atmospheric Implication C. Wang et al. 10.1021/acs.jpca.5b11678
- Ionic composition of a humid air plasma under ionizing radiation A. Filippov et al. 10.1134/S1063776117070020
- Identification and Characterization of the HCl–DMS Gas Phase Molecular Complex via Infrared Spectroscopy and Electronic Structure Calculations N. Bork et al. 10.1021/jp411567x
- Reactions and Reaction Rate of Atmospheric SO2 and O3– (H2O)n Collisions via Molecular Dynamics Simulations N. Bork et al. 10.1021/jp311103z
37 citations as recorded by crossref.
- Reactions and Reaction Rate of Atmospheric SO2 and O3– (H2O)n Collisions via Molecular Dynamics Simulations N. Bork et al. 10.1021/jp311103z
- Response of cloud condensation nuclei (>50 nm) to changes in ion-nucleation H. Svensmark et al. 10.1016/j.physleta.2013.07.004
- Assessment of binding energies of atmospherically relevant clusters J. Elm et al. 10.1039/c3cp52616j
- Hydration of glycolic acid sulfate and lactic acid sulfate: Atmospheric implications N. Tsona & L. Du 10.1016/j.atmosenv.2019.116921
- The atomic structure of protons and hydrides in Sm1.92Ca0.08Sn2O7−δ pyrochlore from DFT calculations and FTIR spectroscopy N. Bork et al. 10.1063/1.4737786
- Solution Structure of Energy Stored System I: Aqua-B(OH)4–: A DFT, Car–Parrinello Molecular Dynamics, and Raman Study Y. Zhou et al. 10.1021/jp405708e
- Interaction of Glycine with Common Atmospheric Nucleation Precursors J. Elm et al. 10.1021/jp408962c
- Screening of a dust particle charge in a humid air plasma created by an electron beam A. Filippov et al. 10.1088/1742-6596/946/1/012148
- Photoelectron imaging and photodissociation of ozonide in O3− ⋅ (O2)n (n = 1-4) clusters J. Mann et al. 10.1063/1.4916048
- Structures and reaction rates of the gaseous oxidation of SO<sub>2</sub> by an O<sub>3</sub><sup>−</sup>(H<sub>2</sub>O)<sub>0-5</sub> cluster – a density functional theory investigation N. Bork et al. 10.5194/acp-12-3639-2012
- On the gas-phase reaction between SO2 and O2−(H2O)0–3 clusters – an ab initio study N. Tsona et al. 10.1039/C3CP54715A
- Hydration effect of selected atmospheric gases with finite water clusters: A quantum chemical investigation towards atmospheric implications S. Syamlal et al. 10.1016/j.chemosphere.2022.135947
- Visible spectrum photofragmentation of O3−(H2O)n, n ≤ 16 J. Lehman & W. Lineberger 10.1063/1.4898373
- Structure of aqueous cesium metaborate solutions by X-ray scattering and DFT calculation W. Zhang et al. 10.1016/j.molstruc.2017.12.099
- Exploring the atmospheric chemistry of O<sub>2</sub>SO<sub>3</sub><sup>−</sup> and assessing the maximum turnover number of ion-catalysed H<sub>2</sub>SO<sub>4</sub> formation N. Bork et al. 10.5194/acp-13-3695-2013
- Effect of Conformers on Free Energies of Atmospheric Complexes L. Partanen et al. 10.1021/acs.jpca.6b04452
- Electron detachment dynamics of O2−(H2O): direct ab initio molecular dynamics (AIMD) approach H. Tachikawa 10.1039/C3RA45753B
- Methane sulfonic acid-enhanced formation of molecular clusters of sulfuric acid and dimethyl amine N. Bork et al. 10.5194/acp-14-12023-2014
- Proton mobility and stability of water clusters containing alkali metal ions A. Zatula et al. 10.1016/j.ijms.2012.07.017
- Hydration of acetic acid-dimethylamine complex and its atmospheric implications J. Li et al. 10.1016/j.atmosenv.2019.117005
- Temperature dependence of ion mobility signals of halogenated compounds H. Borsdorf & T. Mayer 10.1016/j.talanta.2012.08.049
- Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters J. Elm et al. 10.1039/C4CP01206B
- Reactions of microhydrated ozonide with methyl chloride J. Lengyel et al. 10.1016/j.ijms.2018.10.022
- Influence of Nucleation Precursors on the Reaction Kinetics of Methanol with the OH Radical J. Elm et al. 10.1021/jp4051269
- Accuracy of Ion Mobility Measurements Dependent on the Influence of Humidity T. Mayer & H. Borsdorf 10.1021/ac5007393
- Negative Reactant Ion Formation in High Kinetic Energy Ion Mobility Spectrometry (HiKE-IMS) M. Allers et al. 10.1021/jasms.0c00126
- From O2–-Initiated SO2 Oxidation to Sulfate Formation in the Gas Phase N. Tsona et al. 10.1021/acs.jpca.8b03381
- Exploring the chemical fate of the sulfate radical anion by reaction with sulfur dioxide in the gas phase N. Tsona et al. 10.5194/acp-15-495-2015
- An isotopic analysis of ionising radiation as a source of sulphuric acid M. Enghoff et al. 10.5194/acp-12-5319-2012
- Ab Initio Molecular Dynamics Investigation of the Electronic and Structural Stability of Anionic O2–(H2O)n, n = 1–16 Clusters N. Gregory et al. 10.1021/acs.jpca.9b04510
- Effects of Global and Local Anharmonicities on the Thermodynamic Properties of Sulfuric Acid Monohydrate L. Partanen et al. 10.1021/acs.jctc.6b00683
- Photo-Reaction Mechanism of the Hydrated Superoxide Anion: A Theoretical Study H. Tachikawa & T. Fukuzumi 10.1007/s10953-014-0167-2
- Simultaneous detection of ozone and nitrogen dioxide by oxygen anion chemical ionization mass spectrometry: a fast-time-response sensor suitable for eddy covariance measurements G. Novak et al. 10.5194/amt-13-1887-2020
- A potential source of atmospheric sulfate from O<sub>2</sub><sup>−</sup>-induced SO<sub>2</sub> oxidation by ozone N. Tsona & L. Du 10.5194/acp-19-649-2019
- Bidirectional Interaction of Alanine with Sulfuric Acid in the Presence of Water and the Atmospheric Implication C. Wang et al. 10.1021/acs.jpca.5b11678
- Ionic composition of a humid air plasma under ionizing radiation A. Filippov et al. 10.1134/S1063776117070020
- Identification and Characterization of the HCl–DMS Gas Phase Molecular Complex via Infrared Spectroscopy and Electronic Structure Calculations N. Bork et al. 10.1021/jp411567x
1 citations as recorded by crossref.
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