List of works - Hanna Vehkamäki

A Closure Study of the Reaction between Sulfur Dioxide and the Sulfate Radical Ion from First-Principles Molecular Dynamics Simulations

scientific article published on 09 February 2016

A Comparative Study in Molecular Dynamics Simulation of Nucleation

scientific article

A Kinetically Correct and an Approximate Model of Heterogeneous Nucleation

scientific article

A comparison of rigid and flexible water models in collisions of monomers and small clusters

scientific article published on 01 September 2006

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

scholarly article

A study on the fragmentation of sulfuric acid and dimethylamine clusters inside an atmospheric pressure interface time-of-flight mass spectrometer

scientific article

A thermodynamically consistent determination of surface tension of small Lennard-Jones clusters from simulation and theory

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

An Insight into the Failure of Classical Nucleation Theory

scientific article

Analysis and evaluation of selected PM10 pollution episodes in the Helsinki Metropolitan Area in 2002

article by Päivi Aarnio et al published June 2008 in Atmospheric Environment

Analysis of nucleation ability of cluster configurations with Monte Carlo simulations of argon

article

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

scientific article published on 26 June 2017

Atomistic and coarse-grained simulations reveal increased ice nucleation activity on silver iodide surfaces in slit and wedge geometries

scientific article published in 2022

Binary homogeneous nucleation in water-succinic acid and water-glutaric acid systems

scientific article

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

scientific article

Can Highly Oxidized Organics Contribute to Atmospheric New Particle Formation?

scientific article published on 18 November 2015

Characterization and source identification of a fine particle episode in Finland

scholarly article by Jarkko V. Niemi et al published September 2004 in Atmospheric Environment

Charged and neutral binary nucleation of sulfuric acid in free troposphere conditions

Cluster sizes in direct and indirect molecular dynamics simulations of nucleation

scientific article published in December 2009

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

scientific article published on 01 June 2018

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 ⬇️

Comparative study on methodology in molecular dynamics simulation of nucleation

article

Comparing simulated and experimental molecular cluster distributions

scientific article

Comparison between the classical theory predictions and molecular simulation results for heterogeneous nucleation of argon

Comparison of Monte Carlo simulation methods for the calculation of the nucleation barrier of argon

scholarly article by Antti Lauri et al published December 2006 in Atmospheric Research

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 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

Connection between the virial equation of state and physical clusters in a low density vapor

scientific article published in September 2007

Correction: Resolving the anomalous infrared spectrum of the MeCN-HCl molecular cluster using ab Initio molecular dynamics

scientific article published on 27 August 2015

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

scientific article

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

Deviation from equilibrium conditions in molecular dynamic simulations of homogeneous nucleation.

scientific article

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

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

Effect of ions on sulfuric acid-water binary particle formation: 1. Theory for kinetic- and nucleation-type particle formation and atmospheric implications

scientific article

Energetics of Atmospherically Implicated Clusters Made of Sulfuric Acid, Ammonia, and Dimethyl Amine

Equilibrium sizes and formation energies of small and large Lennard-Jones clusters from molecular dynamics: a consistent comparison to Monte Carlo simulations and density functional theories

scientific article published in December 2008

Excess energies of n- and i-octane molecular clusters

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

scientific article published in Physical Review Letters

Formation and growth rates of ultrafine atmospheric particles: a review of observations

article

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

scientific article

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

scientific article published in August 2013

Growth of atmospheric clusters involving cluster–cluster collisions: comparison of different growth rate methods

scholarly article

Growth rates of atmospheric molecular clusters based on appearance times and collision–evaporation fluxes: Growth by monomers

Guanidine - A Highly Efficient Stabilizer in Atmospheric New-Particle Formation.

scientific article

Heterogeneous Nucleation Theorems for Multicomponent Systems

scientific article

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

Heterogeneous multicomponent nucleation theorems for the analysis of nanoclusters

scientific article published in May 2007

Heterogeneous nucleation experiments bridging the scale from molecular ion clusters to nanoparticles

scientific article published in March 2008

Heterogeneous nucleation in multi-component vapor on a partially wettable charged conducting particle. I. Formulation of general equations: electrical surface and line excess quantities.

scientific article published in October 2013

Heterogeneous nucleation in multi-component vapor on a partially wettable charged conducting particle. II. The generalized Laplace, Gibbs-Kelvin, and Young equations and application to nucleation.

scientific article published in October 2013

Homogeneous nucleation of carbon dioxide in supersonic nozzles I: experiments and classical theories

scientific article published on 20 August 2020

Homogeneous nucleation of n-nonane and n-propanol mixtures: a comparison of classical nucleation theory and experiments

scientific article published in December 2005

How do organic vapors contribute to new-particle formation?

scientific article published in January 2013

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

scientific article published on 03 May 2019

Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters

scientific article published on 28 May 2020

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

Impact of Quantum Chemistry Parameter Choices and Cluster Distribution Model Settings on Modeled Atmospheric Particle Formation Rates

scientific article published on 22 June 2020

Implementation of state-of-the-art ternary new-particle formation scheme to the regional chemical transport model PMCAMx-UF in Europe ⬇️

article

Improving Particle Detection Effi ciency of a Condensation Particle Counter by Means of Pulse Height Analysis

scientific 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

Investigating the Role of Ammonia in Atmospheric Nucleation

scientific article

Ion Mobility-Mass Spectrometry of Iodine Pentoxide-Iodic Acid Hybrid Cluster Anions in Dry and Humidified Atmospheres

scientific article published on 08 April 2019

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

Long-range transport episodes of fine particles in southern Finland during 1999–2007

scholarly article by Jarkko V. Niemi et al published February 2009 in Atmospheric Environment

Methanesulfonic Acid-driven New Particle Formation Enhanced by Monoethanolamine: A Computational Study

scientific article published on 22 November 2019

Modelling binary homogeneous nucleation of water-sulfuric acid vapours: parameterisation for high temperature emissions.

scientific article published on August 2003

Modelling on Fragmentation of Clusters Inside a Mass Spectrometer

scientific article published on 02 January 2019

Molecular dynamic simulations of atom–cluster collision processes

scientific article published on 01 January 2004

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

Monte Carlo Simulations on Heterogeneous Nucleation I: The Point Where the Classical Theory Fails

scientific article

Monte Carlo Simulations on Heterogeneous Nucleation II: Line Tension

Monte Carlo simulations of critical cluster sizes and nucleation rates of water

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

Nucleation theorems applied to the Ising model.

scientific article published in June 1999

On Water Condensation Particle Counters and their Applicability to Field Measurements

scientific article

On atmospheric neutral and ion clusters observed in Hyytiälä spring 2011

article

On the gas-phase reaction between SO2 and O2−(H2O)0–3 clusters – an ab initio study

scientific article published on 01 April 2014

On the similarity of equilibrium and critical clusters in atomic vapors

scientific article published in March 2013

Origin of the Failure of Classical Nucleation Theory: Incorrect Description of the Smallest Clusters

scientific article published in Physical Review Letters

Performance of some nucleation theories with a nonsharp droplet-vapor interface.

scientific article published in October 2010

Piperazine Enhancing Sulfuric Acid-Based New Particle Formation: Implications for the Atmospheric Fate of Piperazine

scientific article published on 09 July 2019

Postcollision relaxation of small atomic clusters

scientific article published on 01 January 2006

Quantitative characterization of critical nanoclusters nucleated on large single molecules

scientific article published on 23 February 2012

Quantum Chemical Calculations of the Binding Energies of (H2SO4)2, HOSO2·H2SO4, and HOSO4·H2SO4

scientific article

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

Reactions and Reaction Rate of Atmospheric SO2 and O3– (H2O)n Collisions via Molecular Dynamics Simulations

scientific article published on 08 April 2013

Resolving the anomalous infrared spectrum of the MeCN-HCl molecular cluster using ab initio molecular dynamics

scientific article

Rethinking the application of the first nucleation theorem to particle formation

scientific article published in March 2012

Reversible Work of the Heterogeneous Formation of an Embryo of a New Phase on a Spherical Charged Conductor Within a Uniform Multicomponent Macroscopic Mother Phase

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

Significance of ammonia in growth of atmospheric nanoclusters

scientific article published on 3 October 2007

Source enhanced condensation of a single-component vapor in the transition regime

Stable Ammonium Bisulfate Clusters in the Atmosphere

scientific article published in Physical Review Letters

Strong Hydrogen Bonded Molecular Interactions between Atmospheric Diamines and Sulfuric Acid

scientific article

Structural Effects of Amines in Enhancing Methanesulfonic Acid-Driven New Particle Formation

scientific article published on 22 October 2020

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

scientific article published on 11 May 2012

Structure of Sulfuric Acid–Water Clusters

scientific article

Structures, Hydration, and Electrical Mobilities of Bisulfate Ion-Sulfuric Acid-Ammonia/Dimethylamine Clusters: A Computational Study.

scientific article published on 24 August 2015

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 First Heterogeneous Nucleation Theorem Including Line Tension: Analysis of Experimental Data

The Reactions of Sulfuric Acid with Biogenic Criegee Intermediates or Secondary Ozonides as a Possible Source of Nucleation Precursors

scientific article

The charging properties of protonated acetone and acetone clusters

The condensation particle counter battery (CPCB): A new tool to investigate the activation properties of nanoparticles

The effect of acid-base clustering and ions on the growth of atmospheric nano-particles ⬇️

scientific article published on 20 May 2016

The role of cluster energy nonaccommodation in atmospheric sulfuric acid nucleation

The role of dimers in evaporation of small argon clusters.

scientific article published in July 2004

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

Theoretical and experimental study on phase transitions and mass fluxes of supersaturated water vapor onto different insoluble flat surfaces

scientific article

Thermodynamics and kinetics of atmospheric aerosol particle formation and growth.

scientific article published on 18 June 2012

Two-component Heterogeneous Nucleation in the Martian Atmosphere

scientific article

Two-component heterogeneous nucleation kinetics and an application to Mars

scientific article published on October 2007

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

scientific article published on 25 November 2019

Vapor-liquid nucleation of argon: exploration of various intermolecular potentials.

scientific article published in August 2010

Volatile nanoparticle formation and growth within a diluting diesel car exhaust

scientific article published in April 2011

List of works by Hanna Vehkamäki

A Closure Study of the Reaction between Sulfur Dioxide and the Sulfate Radical Ion from First-Principles Molecular Dynamics Simulations

A Comparative Study in Molecular Dynamics Simulation of Nucleation

A Kinetically Correct and an Approximate Model of Heterogeneous Nucleation

A comparison of rigid and flexible water models in collisions of monomers and small clusters

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

A study on the fragmentation of sulfuric acid and dimethylamine clusters inside an atmospheric pressure interface time-of-flight mass spectrometer

A thermodynamically consistent determination of surface tension of small Lennard-Jones clusters from simulation and theory

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

An Insight into the Failure of Classical Nucleation Theory

Analysis and evaluation of selected PM10 pollution episodes in the Helsinki Metropolitan Area in 2002

Analysis of nucleation ability of cluster configurations with Monte Carlo simulations of argon

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

Atomistic and coarse-grained simulations reveal increased ice nucleation activity on silver iodide surfaces in slit and wedge geometries

Binary homogeneous nucleation in water-succinic acid and water-glutaric acid systems

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

Can Highly Oxidized Organics Contribute to Atmospheric New Particle Formation?

Characterization and source identification of a fine particle episode in Finland

Charged and neutral binary nucleation of sulfuric acid in free troposphere conditions

Cluster sizes in direct and indirect molecular dynamics simulations of nucleation

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

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 ⬇️

Comparative study on methodology in molecular dynamics simulation of nucleation

Comparing simulated and experimental molecular cluster distributions

Comparison between the classical theory predictions and molecular simulation results for heterogeneous nucleation of argon

Comparison of Monte Carlo simulation methods for the calculation of the nucleation barrier of argon

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

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

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

Connection between the virial equation of state and physical clusters in a low density vapor

Correction: Resolving the anomalous infrared spectrum of the MeCN-HCl molecular cluster using ab Initio molecular dynamics

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

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

Deviation from equilibrium conditions in molecular dynamic simulations of homogeneous nucleation.

Diamines Can Initiate New Particle Formation in the Atmosphere.

Direct Observations of Atmospheric Aerosol Nucleation

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

Effect of Conformers on Free Energies of Atmospheric Complexes.

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

Effect of ions on sulfuric acid-water binary particle formation: 1. Theory for kinetic- and nucleation-type particle formation and atmospheric implications

Energetics of Atmospherically Implicated Clusters Made of Sulfuric Acid, Ammonia, and Dimethyl Amine

Equilibrium sizes and formation energies of small and large Lennard-Jones clusters from molecular dynamics: a consistent comparison to Monte Carlo simulations and density functional theories

Excess energies of n- and i-octane molecular clusters

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

Formation and growth rates of ultrafine atmospheric particles: a review of observations

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

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

Growth of atmospheric clusters involving cluster–cluster collisions: comparison of different growth rate methods

Growth rates of atmospheric molecular clusters based on appearance times and collision–evaporation fluxes: Growth by monomers

Guanidine - A Highly Efficient Stabilizer in Atmospheric New-Particle Formation.

Heterogeneous Nucleation Theorems for Multicomponent Systems

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

Heterogeneous multicomponent nucleation theorems for the analysis of nanoclusters

Heterogeneous nucleation experiments bridging the scale from molecular ion clusters to nanoparticles

Heterogeneous nucleation in multi-component vapor on a partially wettable charged conducting particle. I. Formulation of general equations: electrical surface and line excess quantities.

Heterogeneous nucleation in multi-component vapor on a partially wettable charged conducting particle. II. The generalized Laplace, Gibbs-Kelvin, and Young equations and application to nucleation.

Homogeneous nucleation of carbon dioxide in supersonic nozzles I: experiments and classical theories

Homogeneous nucleation of n-nonane and n-propanol mixtures: a comparison of classical nucleation theory and experiments

How do organic vapors contribute to new-particle formation?

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

Hydration of Atmospheric Molecular Clusters III: Procedure for Efficient Free Energy Surface Exploration of Large Hydrated Clusters

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

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

Impact of Quantum Chemistry Parameter Choices and Cluster Distribution Model Settings on Modeled Atmospheric Particle Formation Rates

Implementation of state-of-the-art ternary new-particle formation scheme to the regional chemical transport model PMCAMx-UF in Europe ⬇️

Improving Particle Detection Effi ciency of a Condensation Particle Counter by Means of Pulse Height Analysis

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

Investigating the Role of Ammonia in Atmospheric Nucleation

Ion Mobility-Mass Spectrometry of Iodine Pentoxide-Iodic Acid Hybrid Cluster Anions in Dry and Humidified Atmospheres

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

Long-range transport episodes of fine particles in southern Finland during 1999–2007

Methanesulfonic Acid-driven New Particle Formation Enhanced by Monoethanolamine: A Computational Study

Modelling binary homogeneous nucleation of water-sulfuric acid vapours: parameterisation for high temperature emissions.

Modelling on Fragmentation of Clusters Inside a Mass Spectrometer

Molecular dynamic simulations of atom–cluster collision processes

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

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

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