25 May 2007
25 May 2007
Estimating the NH3:H2SO4 ratio of nucleating clusters in atmospheric conditions using quantum chemical methods
T. Kurtén et al.
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Cited
49 citations as recorded by crossref.
- Vibrational Spectra and Fragmentation Pathways of Size-Selected, D2-Tagged Ammonium/Methylammonium Bisulfate Clusters C. Johnson & M. Johnson 10.1021/jp404244y
- Assessment of binding energies of atmospherically relevant clusters J. Elm et al. 10.1039/c3cp52616j
- Acid–Base Clusters during Atmospheric New Particle Formation in Urban Beijing R. Yin et al. 10.1021/acs.est.1c02701
- Strong Hydrogen Bonded Molecular Interactions between Atmospheric Diamines and Sulfuric Acid J. Elm et al. 10.1021/acs.jpca.6b03192
- Effects of Global and Local Anharmonicities on the Thermodynamic Properties of Sulfuric Acid Monohydrate L. Partanen et al. 10.1021/acs.jctc.6b00683
- Modeling the Binding Free Energy of Large Atmospheric Sulfuric Acid–Ammonia Clusters M. Engsvang & J. Elm 10.1021/acsomega.1c07303
- Reaction of Stabilized Criegee Intermediates from Ozonolysis of Limonene with Sulfur Dioxide: Ab Initio and DFT Study L. Jiang et al. 10.1021/jp107783z
- Structure and Energetics of Nanometer Size Clusters of Sulfuric Acid with Ammonia and Dimethylamine J. DePalma et al. 10.1021/jp210127w
- Hydrogen-Bonding Interaction in Molecular Complexes and Clusters of Aerosol Nucleation Precursors J. Zhao et al. 10.1021/jp806693r
- Amines are likely to enhance neutral and ion-induced sulfuric acid-water nucleation in the atmosphere more effectively than ammonia T. Kurtén et al. 10.5194/acp-8-4095-2008
- Phosphoric acid – a potentially elusive participant in atmospheric new particle formation J. Elm et al. 10.1080/00268976.2016.1262558
- Significance of Ammonia in Growth of Atmospheric Nanoclusters L. Torpo et al. 10.1021/jp0741307
- Theoretical study of CH3SO3−Na+⋅[H2O]n clusters: Implications for sea-salt methanesulfonate aerosols H. Hernández-Soto et al. 10.1016/j.comptc.2015.04.021
- Quantum chemical studies on peroxodisulfuric acid–sulfuric acid–water clusters M. Toivola et al. 10.1016/j.comptc.2011.04.023
- Tri-Base Synergy in Sulfuric Acid-Base Clusters H. Xie & J. Elm 10.3390/atmos12101260
- Nucleation and Growth of Nanoparticles in the Atmosphere R. Zhang et al. 10.1021/cr2001756
- X-ray induced fragmentation of size-selected salt cluster-ions stored in an ion trap M. Ryding et al. 10.1039/C4RA09787D
- On the composition of ammonia–sulfuric-acid ion clusters during aerosol particle formation S. Schobesberger et al. 10.5194/acp-15-55-2015
- An Atmospheric Cluster Database Consisting of Sulfuric Acid, Bases, Organics, and Water J. Elm 10.1021/acsomega.9b00860
- Effect of Mixing Ammonia and Alkylamines on Sulfate Aerosol Formation B. Temelso et al. 10.1021/acs.jpca.7b11236
- Effect of Conformers on Free Energies of Atmospheric Complexes L. Partanen et al. 10.1021/acs.jpca.6b04452
- Aerosol size distribution modeling with the Community Multiscale Air Quality modeling system in the Pacific Northwest: 2. Parameterizations for ternary nucleation and nucleation mode processes R. Elleman & D. Covert 10.1029/2009JD012187
- Bond Energies and Structures of Ammonia–Sulfuric Acid Positive Cluster Ions K. Froyd & E. Lovejoy 10.1021/jp209908f
- Modeling the formation and growth of atmospheric molecular clusters: A review J. Elm et al. 10.1016/j.jaerosci.2020.105621
- New particle formation and its effect on cloud condensation nuclei abundance in the summer Arctic: a case study in the Fram Strait and Barents Sea S. Kecorius et al. 10.5194/acp-19-14339-2019
- A density functional theory study on the superacidity of sulfuric, fluorosulfuric, and triflic acid derivatives with two cyclopentadiene rings: ion pairs formation in the gas phase Y. Valadbeigi & R. Vianello 10.1002/poc.3995
- The sign preference in sulfuric acid nucleation T. Kurtén et al. 10.1016/j.theochem.2009.01.024
- Theoretical Investigation of Interaction of Dicarboxylic Acids with Common Aerosol Nucleation Precursors W. Xu & R. Zhang 10.1021/jp301964u
- Theoretical study on reaction mechanism of sulfuric acid and ammonia and hydration of (NH4)2SO4 W. Liu et al. 10.1007/s00214-012-1103-4
- 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
- Ammonia in positively charged pre-nucleation clusters: a quantum-chemical study and atmospheric implications A. Nadykto et al. 10.5194/acp-9-4031-2009
- Rayleigh light scattering properties of atmospheric molecular clusters consisting of sulfuric acid and bases J. Elm et al. 10.1039/C5CP01012H
- Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation H. Cao et al. 10.1016/j.atmosenv.2020.118139
- The role of ammonia in sulfuric acid ion induced nucleation I. Ortega et al. 10.5194/acp-8-2859-2008
- Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters J. Elm et al. 10.1039/C4CP01206B
- Enhancing effect of dimethylamine in sulfuric acid nucleation in the presence of water – a computational study V. Loukonen et al. 10.5194/acp-10-4961-2010
- Computational Study of the Clustering of a Cyclohexene Autoxidation Product C6H8O7 with Itself and Sulfuric Acid J. Elm et al. 10.1021/acs.jpca.5b04040
- Coupled Cluster Evaluation of the Stability of Atmospheric Acid–Base Clusters with up to 10 Molecules N. Myllys et al. 10.1021/acs.jpca.5b09762
- Influence of Nucleation Precursors on the Reaction Kinetics of Methanol with the OH Radical J. Elm et al. 10.1021/jp4051269
- Sign preference in ion-induced nucleation: Contributions to the free energy barrier S. Keasler et al. 10.1063/1.4759153
- Formation and Growth of Molecular Clusters Containing Sulfuric Acid, Water, Ammonia, and Dimethylamine J. DePalma et al. 10.1021/jp503348b
- Theoretical Studies on Reactions of OH with H2SO4…NH3Complex and NH2with H2SO4in the Presence of Water B. Long et al. 10.1002/slct.201600194
- Analysis of ammonium bisulfate/sulfate generation and deposition characteristics as the by-product of SCR in coal-fired flue gas M. Qing et al. 10.1016/j.fuel.2021.122790
- A theoretical study of temperature dependence of cluster formation from sulfuric acid and ammonia N. Chon et al. 10.1016/j.chemphys.2014.01.010
- Interaction of Glycine with Common Atmospheric Nucleation Precursors J. Elm et al. 10.1021/jp408962c
- Stabilization of sulfuric acid dimers by ammonia, methylamine, dimethylamine, and trimethylamine C. Jen et al. 10.1002/2014JD021592
- Basis set convergence of the binding energies of strongly hydrogen-bonded atmospheric clusters J. Elm & K. Kristensen 10.1039/C6CP06851K
- Hydration of the methanesulfonate–ammonia/amine complex and its atmospheric implications S. Miao et al. 10.1039/C7RA12064H
- Theoretical Phase Resolved Ammonia–Ammonium Nitrogen Equilibrium Isotope Exchange Fractionations: Applications for Tracking Atmospheric Ammonia Gas-to-Particle Conversion W. Walters et al. 10.1021/acsearthspacechem.8b00140
49 citations as recorded by crossref.
- Vibrational Spectra and Fragmentation Pathways of Size-Selected, D2-Tagged Ammonium/Methylammonium Bisulfate Clusters C. Johnson & M. Johnson 10.1021/jp404244y
- Assessment of binding energies of atmospherically relevant clusters J. Elm et al. 10.1039/c3cp52616j
- Acid–Base Clusters during Atmospheric New Particle Formation in Urban Beijing R. Yin et al. 10.1021/acs.est.1c02701
- Strong Hydrogen Bonded Molecular Interactions between Atmospheric Diamines and Sulfuric Acid J. Elm et al. 10.1021/acs.jpca.6b03192
- Effects of Global and Local Anharmonicities on the Thermodynamic Properties of Sulfuric Acid Monohydrate L. Partanen et al. 10.1021/acs.jctc.6b00683
- Modeling the Binding Free Energy of Large Atmospheric Sulfuric Acid–Ammonia Clusters M. Engsvang & J. Elm 10.1021/acsomega.1c07303
- Reaction of Stabilized Criegee Intermediates from Ozonolysis of Limonene with Sulfur Dioxide: Ab Initio and DFT Study L. Jiang et al. 10.1021/jp107783z
- Structure and Energetics of Nanometer Size Clusters of Sulfuric Acid with Ammonia and Dimethylamine J. DePalma et al. 10.1021/jp210127w
- Hydrogen-Bonding Interaction in Molecular Complexes and Clusters of Aerosol Nucleation Precursors J. Zhao et al. 10.1021/jp806693r
- Amines are likely to enhance neutral and ion-induced sulfuric acid-water nucleation in the atmosphere more effectively than ammonia T. Kurtén et al. 10.5194/acp-8-4095-2008
- Phosphoric acid – a potentially elusive participant in atmospheric new particle formation J. Elm et al. 10.1080/00268976.2016.1262558
- Significance of Ammonia in Growth of Atmospheric Nanoclusters L. Torpo et al. 10.1021/jp0741307
- Theoretical study of CH3SO3−Na+⋅[H2O]n clusters: Implications for sea-salt methanesulfonate aerosols H. Hernández-Soto et al. 10.1016/j.comptc.2015.04.021
- Quantum chemical studies on peroxodisulfuric acid–sulfuric acid–water clusters M. Toivola et al. 10.1016/j.comptc.2011.04.023
- Tri-Base Synergy in Sulfuric Acid-Base Clusters H. Xie & J. Elm 10.3390/atmos12101260
- Nucleation and Growth of Nanoparticles in the Atmosphere R. Zhang et al. 10.1021/cr2001756
- X-ray induced fragmentation of size-selected salt cluster-ions stored in an ion trap M. Ryding et al. 10.1039/C4RA09787D
- On the composition of ammonia–sulfuric-acid ion clusters during aerosol particle formation S. Schobesberger et al. 10.5194/acp-15-55-2015
- An Atmospheric Cluster Database Consisting of Sulfuric Acid, Bases, Organics, and Water J. Elm 10.1021/acsomega.9b00860
- Effect of Mixing Ammonia and Alkylamines on Sulfate Aerosol Formation B. Temelso et al. 10.1021/acs.jpca.7b11236
- Effect of Conformers on Free Energies of Atmospheric Complexes L. Partanen et al. 10.1021/acs.jpca.6b04452
- Aerosol size distribution modeling with the Community Multiscale Air Quality modeling system in the Pacific Northwest: 2. Parameterizations for ternary nucleation and nucleation mode processes R. Elleman & D. Covert 10.1029/2009JD012187
- Bond Energies and Structures of Ammonia–Sulfuric Acid Positive Cluster Ions K. Froyd & E. Lovejoy 10.1021/jp209908f
- Modeling the formation and growth of atmospheric molecular clusters: A review J. Elm et al. 10.1016/j.jaerosci.2020.105621
- New particle formation and its effect on cloud condensation nuclei abundance in the summer Arctic: a case study in the Fram Strait and Barents Sea S. Kecorius et al. 10.5194/acp-19-14339-2019
- A density functional theory study on the superacidity of sulfuric, fluorosulfuric, and triflic acid derivatives with two cyclopentadiene rings: ion pairs formation in the gas phase Y. Valadbeigi & R. Vianello 10.1002/poc.3995
- The sign preference in sulfuric acid nucleation T. Kurtén et al. 10.1016/j.theochem.2009.01.024
- Theoretical Investigation of Interaction of Dicarboxylic Acids with Common Aerosol Nucleation Precursors W. Xu & R. Zhang 10.1021/jp301964u
- Theoretical study on reaction mechanism of sulfuric acid and ammonia and hydration of (NH4)2SO4 W. Liu et al. 10.1007/s00214-012-1103-4
- 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
- Ammonia in positively charged pre-nucleation clusters: a quantum-chemical study and atmospheric implications A. Nadykto et al. 10.5194/acp-9-4031-2009
- Rayleigh light scattering properties of atmospheric molecular clusters consisting of sulfuric acid and bases J. Elm et al. 10.1039/C5CP01012H
- Contributions of alanine and serine to sulfuric acid-based homogeneous nucleation H. Cao et al. 10.1016/j.atmosenv.2020.118139
- The role of ammonia in sulfuric acid ion induced nucleation I. Ortega et al. 10.5194/acp-8-2859-2008
- Computational study of the Rayleigh light scattering properties of atmospheric pre-nucleation clusters J. Elm et al. 10.1039/C4CP01206B
- Enhancing effect of dimethylamine in sulfuric acid nucleation in the presence of water – a computational study V. Loukonen et al. 10.5194/acp-10-4961-2010
- Computational Study of the Clustering of a Cyclohexene Autoxidation Product C6H8O7 with Itself and Sulfuric Acid J. Elm et al. 10.1021/acs.jpca.5b04040
- Coupled Cluster Evaluation of the Stability of Atmospheric Acid–Base Clusters with up to 10 Molecules N. Myllys et al. 10.1021/acs.jpca.5b09762
- Influence of Nucleation Precursors on the Reaction Kinetics of Methanol with the OH Radical J. Elm et al. 10.1021/jp4051269
- Sign preference in ion-induced nucleation: Contributions to the free energy barrier S. Keasler et al. 10.1063/1.4759153
- Formation and Growth of Molecular Clusters Containing Sulfuric Acid, Water, Ammonia, and Dimethylamine J. DePalma et al. 10.1021/jp503348b
- Theoretical Studies on Reactions of OH with H2SO4…NH3Complex and NH2with H2SO4in the Presence of Water B. Long et al. 10.1002/slct.201600194
- Analysis of ammonium bisulfate/sulfate generation and deposition characteristics as the by-product of SCR in coal-fired flue gas M. Qing et al. 10.1016/j.fuel.2021.122790
- A theoretical study of temperature dependence of cluster formation from sulfuric acid and ammonia N. Chon et al. 10.1016/j.chemphys.2014.01.010
- Interaction of Glycine with Common Atmospheric Nucleation Precursors J. Elm et al. 10.1021/jp408962c
- Stabilization of sulfuric acid dimers by ammonia, methylamine, dimethylamine, and trimethylamine C. Jen et al. 10.1002/2014JD021592
- Basis set convergence of the binding energies of strongly hydrogen-bonded atmospheric clusters J. Elm & K. Kristensen 10.1039/C6CP06851K
- Hydration of the methanesulfonate–ammonia/amine complex and its atmospheric implications S. Miao et al. 10.1039/C7RA12064H
- Theoretical Phase Resolved Ammonia–Ammonium Nitrogen Equilibrium Isotope Exchange Fractionations: Applications for Tracking Atmospheric Ammonia Gas-to-Particle Conversion W. Walters et al. 10.1021/acsearthspacechem.8b00140
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