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List of works by Theo Kurtén

A Comment on Nadytko et al., “Amines in the Earth’s Atmosphere: A Density Functional Theory Study of the Thermochemistry of Pre-Nucleation Clusters”. Entropy 2011, 13, 554–569

A Computational Study of the Oxidation of SO2to SO3by Gas-Phase Organic Oxidants

article

A density functional study on water-sulfuric acid-ammonia clusters and implications for atmospheric cluster formation

scholarly article

A large source of low-volatility secondary organic aerosol

scientific article published in February 2014

A new atmospherically relevant oxidant of sulphur dioxide.

scientific article

A reference data set for validating vapor pressure measurement techniques: Homologous series of polyethylene glycols

A reference data set for validating vapor pressure measurement techniques: homologous series of polyethylene glycols

scholarly article by Ulrich K. Krieger et al published 8 January 2018 in Atmospheric Measurement Techniques

Ab Initio and Density Functional Theory Reinvestigation of Gas-Phase Sulfuric Acid Monohydrate and Ammonium Hydrogen Sulfate

Ab initio studies of O 2 − (H 2 O) n and O 3 − (H 2 O) n anionic molecular clusters, n ≤12

Ab initio studies of O<sub>2</sub><sup>−</sup>(H<sub>2</sub>O)<sub><i>n</i></sub> and O<sub>3</sub><sup>−</sup>(H<sub>2</sub>O)<sub><

scholarly article

Acid-Mediated Formation of Radicals or Baeyer-Villiger Oxidation from Criegee Adducts

scientific article published on 12 August 2015

Aerosol size distribution measurements at four Nordic field stations: identification, analysis and trajectory analysis of new particle formation bursts

article

Alkoxy Radical Bond Scissions Explain the Anomalously Low Secondary Organic Aerosol and Organonitrate Yields From α-Pinene + NO3.

scientific article

Ambient sesquiterpene concentration and its link to air ion measurements

scholarly article

Amine substitution into sulfuric acid – ammonia clusters

scholarly article

Amines are likely to enhance neutral and ion-induced sulfuric acid-water nucleation in the atmosphere more effectively than ammonia

scholarly article

An iodide-adduct high-resolution time-of-flight chemical-ionization mass spectrometer: application to atmospheric inorganic and organic compounds

scientific article published on 21 May 2014

Aromaticity of Even-Number Cyclo[<i>n</i>]carbons (<i>n</i> = 6-100)

scientific article published on 10 December 2020

Atmospheric Cluster Dynamics Code: a flexible method for solution of the birth-death equations

scholarly article

Atmospheric Fate of Monoethanolamine: Enhancing New Particle Formation of Sulfuric Acid as an Important Removal Process

scientific article published on 26 June 2017

Atmospheric fate of methyl vinyl ketone: peroxy radical reactions with NO and HO2.

scientific article

Atmospheric nucleation: highlights of the EUCAARI project and future directions

scholarly article

Benchmarking Ab Initio Binding Energies of Hydrogen-Bonded Molecular Clusters Based on FTIR Spectroscopy

scientific article published on 02 July 2014

CIMS sulfuric acid detection efficiency enhanced by amines due to higher dipole moments: a computational study.

scientific article

Calculating rate constants for intersystem crossing and internal conversion in the Franck-Condon and Herzberg-Teller approximations

scientific article published on 01 August 2019

Can COSMOTherm Predict a Salting in Effect?

scientific article

Can Highly Oxidized Organics Contribute to Atmospheric New Particle Formation?

scientific article published on 18 November 2015

Carbon dioxide–water clusters in the atmosphere of Mars

Closed-Shell Organic Compounds Might Form Dimers at the Surface of Molecular Clusters

scientific article published on 24 January 2018

Clustering mechanism of oxocarboxylic acids involving hydration reaction: Implications for the atmospheric models

scientific article published on 01 June 2018

Cold oceans enhance terrestrial new-particle formation in near-coastal forests

scholarly article

Comment on ‘Enhancement in the production of nucleating clusters due to dimethylamine and large uncertainties in the thermochemistry of amine-enhanced nucleation’ by Nadykto et al., Chem. Phys. Lett. 609 (2014) 42–49 ⬇️

Comparing simulated and experimental molecular cluster distributions

scientific article

Composition and temporal behavior of ambient ions in the boreal forest

scholarly article

Computational Comparison of Acetate and Nitrate Chemical Ionization of Highly Oxidized Cyclohexene Ozonolysis Intermediates and Products

scientific article published on 24 February 2017

Computational Comparison of Different Reagent Ions in the Chemical Ionization of Oxidized Multifunctional Compounds

scientific article

Computational Investigation of RO2 + HO2 and RO2 + RO2 Reactions of Monoterpene Derived First-Generation Peroxy Radicals Leading to Radical Recycling

scientific article published on 04 December 2018

Computational Study of Hydrogen Shifts and Ring-Opening Mechanisms in α-Pinene Ozonolysis Products

scientific article

Computational Study of the Adsorption Energetics and Vibrational Wavenumbers of NH3Adsorbed on the Ni(111) Surface

article

Computational Study of the Clustering of a Cyclohexene Autoxidation Product C6H8O7 with Itself and Sulfuric Acid

scientific article published on 21 July 2015

Computational Study of the Effect of Glyoxal–Sulfate Clustering on the Henry’s Law Coefficient of Glyoxal

scientific article published on 26 November 2014

Computational Study of the Effect of Mineral Dust on Secondary Organic Aerosol Formation by Accretion Reactions of Closed-Shell Organic Compounds

scientific article published on 10 October 2019

Computational Study of the Reaction between Biogenic Stabilized Criegee Intermediates and Sulfuric Acid

Computational Study on the Effect of Hydration on New Particle Formation in the Sulfuric Acid/Ammonia and Sulfuric Acid/Dimethylamine Systems

scientific article published on 09 March 2016

Computational and Experimental Investigation of the Detection of HO2 Radical and the Products of Its Reaction with Cyclohexene Ozonolysis Derived RO2 Radicals by an Iodide-Based Chemical Ionization Mass Spectrometer

scientific article

Computational investigation of the possible role of some intermediate products of SO2 oxidation in sulfuric acid–water nucleation

Configurational Sampling of Noncovalent (Atmospheric) Molecular Clusters: Sulfuric Acid and Guanidine

scientific article published on 05 July 2019

Constraining the sensitivity of iodide adduct chemical ionization mass spectrometry to multifunctional organic molecules using the collision limit and thermodynamic stability of iodide ion adducts

article

Corrigendum to "From quantum chemical formation free energies to evaporation rates" published in Atmos. Chem. Phys., 12, 225–235, 2012

scholarly article

Corrigendum: Acid-Mediated Formation of Radicals or Baeyer-Villiger Oxidation from Criegee Adducts

scientific article published on 01 June 2017

Cost-Effective Implementation of Multiconformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions

scientific article published on 19 December 2016

Coupled Cluster Evaluation of the Stability of Atmospheric Acid-Base Clusters with up to 10 Molecules

scientific article

Criegee Intermediates React with Ozone

Density functional theory basis set convergence of sulfuric acid-containing molecular clusters

Density-functional study of the sign preference of the binding of 1-propanol to tungsten oxide seed particles

Diamines Can Initiate New Particle Formation in the Atmosphere.

scientific article published on 21 July 2017

Direct Observations of Atmospheric Aerosol Nucleation

scientific article published in Science

Direct Probing of Criegee Intermediates from Gas-Phase Ozonolysis Using Chemical Ionization Mass Spectrometry.

scientific article

Effect of Bisulfate, Ammonia, and Ammonium on the Clustering of Organic Acids and Sulfuric Acid

scientific article published on 6 June 2017

Effect of Conformers on Free Energies of Atmospheric Complexes.

scientific article published on 4 October 2016

Effect of Hydration and Base Contaminants on Sulfuric Acid Diffusion Measurement: A Computational Study

journal article; published in Aerosol Science and Technology in 2014

Effects of chemical complexity on the autoxidation mechanisms of endocyclic alkene ozonolysis products: from methylcyclohexenes toward understanding α-pinene

scientific article

Efficient Isoprene Secondary Organic Aerosol Formation from a Non-IEPOX Pathway

scientific article

Electrical charging changes the composition of sulfuric acid–ammonia/dimethylamine clusters

scholarly article

Enhancing effect of dimethylamine in sulfuric acid nucleation in the presence of water – a computational study

scholarly article

Estimating the NH 3 :H 2 SO 4 ratio of nucleating clusters in atmospheric conditions using quantum chemical methods

scholarly article

Estimating the saturation vapor pressures of isoprene oxidation products C<sub>5</sub>H<sub>12</sub>O<sub>6</sub> and C<sub>5</sub>H<sub>10</sub>O<sub>6</sub> using COSMO-RS

Estimating the saturation vapor pressures of isoprene oxidation products C<sub>5</sub>H<sub>12</sub>O<sub>6</sub> and C<sub>5</sub>H<sub>10</sub>O<sub>6</sub> using COSMO-RS

scholarly article

Experimental Observation of Strongly Bound Dimers of Sulfuric Acid: Application to Nucleation in the Atmosphere

scientific article published in Physical Review Letters

Experimental studies of the formation of cluster ions formed by corona discharge in an atmosphere containing SO2, NH3, and H2O

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

scholarly article

Factors influencing the contribution of ion-induced nucleation in a boreal forest, Finland

scholarly article

Flight Deployment of a High-Resolution Time-of-Flight Chemical Ionization Mass Spectrometer: Observations of Reactive Halogen and Nitrogen Oxide Species

Formation of atmospheric molecular clusters consisting of sulfuric acid and C8H12O6 tricarboxylic acid.

scientific article

Formation of highly oxidized multifunctional compounds: autoxidation of peroxy radicals formed in the ozonolysis of alkenes – deduced from structure–product relationships

scholarly article

Free energy barrier in the growth of sulfuric acid-ammonia and sulfuric acid-dimethylamine clusters

scientific article published in August 2013

From quantum chemical formation free energies to evaporation rates

scholarly article

Glyoxal and Methylglyoxal Setschenow Salting Constants in Sulfate, Nitrate, and Chloride Solutions: Measurements and Gibbs Energies.

scientific article published on 3 September 2015

Heterogeneous Nucleation of Butanol on NaCl: A Computational Study of Temperature, Humidity, Seed Charge, and Seed Size Effects

scientific article published on 15 April 2021

Heterogeneous Nucleation onto Ions and Neutralized Ions: Insights into Sign-Preference

Highly Oxygenated Organic Molecules (HOM) from Gas-Phase Autoxidation Involving Peroxy Radicals: A Key Contributor to Atmospheric Aerosol

scientific article published on 25 February 2019

Highly functionalized organic nitrates in the southeast United States: Contribution to secondary organic aerosol and reactive nitrogen budgets

scientific article

How well can we predict cluster fragmentation inside a mass spectrometer?

scientific article published on 03 May 2019

Hydration increases the lifetime of HSO 5 and enhances its ability to act as a nucleation precursor – a computational study

scholarly article

Hydration of Atmospherically Relevant Molecular Clusters: Computational Chemistry and Classical Thermodynamics

scientific article published on 28 March 2014

Hydration of pure and base-Containing sulfuric acid clusters studied by computational chemistry methods

Hydroxyl radical-induced formation of highly oxidized organic compounds.

scientific article published on 02 December 2016

Intersystem Crossings Drive Atmospheric Gas-Phase Dimer Formation

scientific article published on 23 July 2019

Introduction: The Pan-Eurasian Experiment (PEEX) – multidisciplinary, multiscale and multicomponent research and capacity-building initiative

scholarly article

Investigating Atmospheric Sulfuric Acid–Water–Ammonia Particle Formation Using Quantum Chemistry

scholarly article by Theo Kurtén & Hanna Vehkamäki published 2008 in Advances in Quantum Chemistry

Isomer-Resolved Mobility-Mass Analysis of α-Pinene Ozonolysis Products

scientific article published on 4 August 2022

Kinetic (T = 201-298 K) and equilibrium (T = 320-420 K) measurements of the C3H5 + O2 ⇆ C3H5O2 reaction

scientific article

Large methane releases lead to strong aerosol forcing and reduced cloudiness ⬇️

scholarly article

Linking neutral and charged sulfuric acid-ammonia and sulfuric acid-dimethylamine clusters

MRCISD Studies of the Dissociation of Vinylhydroperoxide, CH2CHOOH: There Is a Saddle Point ⬇️

scientific article published on 08 June 2012

Modeling the Charging of Highly Oxidized Cyclohexene Ozonolysis Products Using Nitrate-Based Chemical Ionization

scientific article

Modeling the Detection of Organic and Inorganic Compounds Using Iodide-Based Chemical Ionization

scientific article

Modeling the role of highly oxidized multifunctional organic molecules for the growth of new particles over the boreal forest region

scholarly article

Modelling on Fragmentation of Clusters Inside a Mass Spectrometer

scientific article published on 02 January 2019

Molecular Composition and Volatility of Organic Aerosol in the Southeastern U.S.: Implications for IEPOX Derived SOA.

scientific article

Molecular interaction of pinic acid with sulfuric acid: exploring the thermodynamic landscape of cluster growth

scientific article published on 26 August 2014

Molecular understanding of atmospheric particle formation from sulfuric acid and large oxidized organic molecules

scientific article published on 07 October 2013

Molecular understanding of sulphuric acid-amine particle nucleation in the atmosphere

scientific article published on 6 October 2013

Molecular-scale evidence of aerosol particle formation via sequential addition of HIO3.

scientific article published on 31 August 2016

New particle formation from sulfuric acid and amines: Comparison of monomethylamine, dimethylamine, and trimethylamine

Nitrate radical addition-elimination reactions of atmospherically relevant sulfur-containing molecules.

scientific article published on 27 August 2010

Nitrogenated and aliphatic organic vapors as possible drivers for marine secondary organic aerosol growth

article

Odd-Number Cyclo[<i>n</i>]Carbons Sustaining Alternating Aromaticity

scientific article published in 2022

On the formation of sulphuric acid – amine clusters in varying atmospheric conditions and its influence on atmospheric new particle formation

scholarly article

On the possible catalysis by single water molecules of gas-phase hydrogen abstraction reactions by OH radicals

scientific article published on 01 October 2012

Pan-Eurasian Experiment (PEEX): towards a holistic understanding of the feedbacks and interactions in the land–atmosphere–ocean–society continuum in the northern Eurasian region ⬇️

scholarly article

Phosphoric acid – a potentially elusive participant in atmospheric new particle formation

Positive feedback mechanism between biogenic volatile organic compounds and the methane lifetime in future climates

scientific article published in 2022

Proton affinities of candidates for positively charged ambient ions in boreal forests

scholarly article

Quantum chemical studies on peroxodisulfuric acid–sulfuric acid–water clusters

Reaction between Peroxy and Alkoxy Radicals Can Form Stable Adducts

scientific article published on 12 April 2019

Reactivity of stabilized Criegee intermediates (sCIs) from isoprene and monoterpene ozonolysis toward SO<sub>2</sub> and organic acids

scholarly article

Rethinking the application of the first nucleation theorem to particle formation

scientific article published in March 2012

Seed-Adsorbate Interactions as the Key of Heterogeneous Butanol and Diethylene Glycol Nucleation on Ammonium Bisulfate and Tetramethylammonium Bromide

scientific article published on 02 December 2020

Self-Catalytic Reaction of SO and NH To Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation

scientific article published in 2018

Self-Catalytic Reaction of SO3 and NH3 To Produce Sulfamic Acid and Its Implication to Atmospheric Particle Formation

article published in 2018

Separation of isomers using a differential mobility analyser (DMA): Comparison of experimental vs modelled ion mobility

scientific article published in June 2022

Significance of ammonia in growth of atmospheric nanoclusters

scientific article published on 3 October 2007

Solubility and Activity Coefficients of Atmospheric Surfactants in Aqueous Solution Evaluated Using COSMOtherm

scientific article published on 06 January 2020

Stability and structure of protonated clusters of ammonia and water, H+(NH3)m (H2O)n

scientific article published on July 2010

Strong Even/Odd Pattern in the Computed Gas-Phase Stability of Dicarboxylic Acid Dimers: Implications for Condensation Thermodynamics

scientific article published on 28 October 2019

Strong Hydrogen Bonded Molecular Interactions between Atmospheric Diamines and Sulfuric Acid

scientific article

Structural Rearrangements and Magic Numbers in Reactions between Pyridine-Containing Water Clusters and Ammonia

scientific article published on 11 May 2012

Structures and reaction rates of the gaseous oxidation of SO 2 by an O 3 − (H 2 O) 0–5 cluster – a density functional theory investigation

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 investiga

scholarly article

Temporal and Spatial Variation in Scots Pine Resin Pressure and Composition

article by Kaisa Alina Rissanen et al published 17 May 2019 in Frontiers in Forests and Global Change

The Effect of Water and Bases on the Clustering of a Cyclohexene Autoxidation Product C6H8O7 with Sulfuric Acid

scientific article published on 31 March 2016

The charging of neutral dimethylamine and dimethylamine-sulphuric acid clusters using protonated acetone

The charging of neutral dimethylamine and dimethylamine–sulfuric acid clusters using protonated acetone

The charging properties of protonated acetone and acetone clusters

The effect of H 2 SO 4 – amine clustering on chemical ionization mass spectrometry (CIMS) measurements of gas-phase sulfuric acid

scholarly article

The formation of highly oxidized multifunctional products in the ozonolysis of cyclohexene.

scientific article

The role of ammonia in sulfuric acid ion induced nucleation

scholarly article

The role of cluster energy nonaccommodation in atmospheric sulfuric acid nucleation

The role of highly oxygenated organic molecules in the Boreal aerosol-cloud-climate system

scientific article published on 25 September 2019

The sign preference in sulfuric acid nucleation

Thermalized Epoxide Formation in the Atmosphere

scientific article published on 26 November 2019

Unexpected quenching effect on new particle formation from the atmospheric reaction of methanol with SO3

scientific article published on 25 November 2019

Unimolecular Decay of the Dimethyl-Substituted Criegee Intermediate in Alkene Ozonolysis: Decay Time Scales and the Importance of Tunneling.

scientific article

Unimolecular HO2 Loss from Peroxy Radicals Formed in Autoxidation Is Unlikely under Atmospheric Conditions.

scientific article published on 10 May 2016

What Is Required for Highly Oxidized Molecules To Form Clusters with Sulfuric Acid?

scientific article published on 31 May 2017

α-Pinene Autoxidation Products May Not Have Extremely Low Saturation Vapor Pressures Despite High O:C Ratios

scientific article published on 6 April 2016

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