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1

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

Besel, Vitus, KubeÄka, Jakub, KurtÃ©n, Theo, VehkamÃ¤ki, Hanna

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 23.84 MB

2020

2

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

Lauri, Antti, Zapadinsky, Evgeni, Vehkamäki, Hanna, Kulmala, Markku

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 478 KB

english, 2006

3

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

Noppel, M., Vehkamäki, H., Winkler, P. M., Kulmala, M., Wagner, P. E.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 730 KB

english, 2013

4

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

Noppel, M., Vehkamäki, H., Winkler, P. M., Kulmala, M., Wagner, P. E.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 785 KB

english, 2013

5

[ECS 208th ECS Meeting - Los Angeles, California (October 16-October 21, 2005)] ECS Transactions - Scale-up of the BaTiO

Matero, Raija, Rahtu, Antti, Haukka, Suvi, Tuominen, Marko, Vehkamäki, Marko, Hatanpää, Timo, Ritala, Mikko, Leskelä, Markku

Year:

2006

Language:

english

File:

PDF, 128 KB

english, 2006

6

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

Gaman, A. I., Napari, I., Winkler, P. M., Vehkamäki, H., Wagner, P. E., Strey, R., Viisanen, Y., Kulmala, M.

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 456 KB

english, 2005

7

Two-component heterogeneous nucleation kinetics and an application to Mars

Määttänen, Anni, Vehkamäki, Hanna, Lauri, Antti, Napari, Ismo, Kulmala, Markku

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 593 KB

english, 2007

8

Area-selective molecular layer deposition of polyimide on Cu through Cu-catalyzed formation of a crystalline inter-chain polyimide

Zhang, Chao, VehkamÃ¤ki, Marko, PietikÃ¤inen, Mika, LeskelÃ¤, Markku, Ritala, Mikko

Journal:

Chemistry of Materials

Year:

2020

File:

PDF, 895 KB

2020

9

Diffusion Barrier Properties of Atomic Layer Deposited Ultrathin Ta[sub 2]O[sub 5] and TiO[sub 2] Films

Alén, Petra, Vehkamäki, Marko, Ritala, Mikko, Leskelä, Markku

Journal:

Journal of The Electrochemical Society

Year:

2006

Language:

english

File:

PDF, 396 KB

english, 2006

10

Vapor-liquid nucleation of argon: Exploration of various intermolecular potentials

McGrath, Matthew J., Ghogomu, Julius N., Tsona, Narcisse T., Siepmann, J. Ilja, Chen, Bin, Napari, Ismo, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 426 KB

english, 2010

11

On the similarity of equilibrium and critical clusters in atomic vapors

Napari, Ismo, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 755 KB

english, 2013

12

AIP Conference Proceedings [AIP NUCLEATION AND ATMOSPHERIC AEROSOLS: 19th International Conference - Fort Collins, Colorado, USA (23–28 June 2013)] - Hydration of pure and base-Containing sulfuric acid clusters studied by computational chemistry methods

Henschel, Henning, Ortega, Ismael K., Kupiainen, Oona, Olenius, Tinja, Kurtén, Theo, Vehkamäki, Hanna

Year:

2013

Language:

english

File:

PDF, 804 KB

english, 2013

13

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

Napari, Ismo, Julin, Jan, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 426 KB

english, 2010

14

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

Julin, Jan, Napari, Ismo, Merikanto, Joonas, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 378 KB

english, 2010

15

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

Julin, Jan, Napari, Ismo, Merikanto, Joonas, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 425 KB

english, 2008

16

Estimation of line tension and contact angle from heterogeneous nucleation experimental data

Hienola, A. I., Winkler, P. M., Wagner, P. E., Vehkamäki, H., Lauri, A., Napari, I., Kulmala, M.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 550 KB

english, 2007

17

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

Merikanto, Joonas, Vehkamäki, Hanna, Zapadinsky, Evgeni

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 457 KB

english, 2004

18

Growth of SrTiO[sub 3] and BaTiO[sub 3] Thin Films by Atomic Layer Deposition

Vehkamäki, Marko

Journal:

Electrochemical and Solid-State Letters

Year:

1999

Language:

english

File:

PDF, 156 KB

english, 1999

19

Molecular dynamic simulations of atom–cluster collision processes

Napari, Ismo, Vehkamäki, Hanna, Laasonen, Kari

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 237 KB

english, 2004

20

Liquid-drop formalism and free-energy surfaces in binary homogeneous nucleation theory

Laaksonen, Ari, McGraw, Robert, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 355 KB

english, 1999

21

Postcollision relaxation of small atomic clusters

Napari, Ismo, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 335 KB

english, 2006

22

An improved model for hydrate formation in sulfuric acid–water nucleation

Noppel, M., Vehkamäki, H., Kulmala, M.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 387 KB

english, 2002

23

The role of cluster energy nonaccommodation in atmospheric sulfuric acid nucleation

Kurtén, Theo, Kuang, Chongai, Gómez, Pedro, McMurry, Peter H., Vehkamäki, Hanna, Ortega, Ismael, Noppel, Madis, Kulmala, Markku

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 534 KB

english, 2010

24

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

Gaman, Anca I., Kulmala, Markku, Vehkamäki, Hanna, Napari, Ismo, Mircea, Mihaela, Facchini, Maria C., Laaksonen, Ari

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 424 KB

english, 2004

25

Critical cluster size and droplet nucleation rate from growth and decay simulations of Lennard-Jones clusters

Vehkamäki, Hanna, Ford, Ian J.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 371 KB

english, 2000

26

Reversible work of the formation of a layer of a new phase on a spherical charged conductor within a uniform multicomponent macroscopic mother phase

Noppel, M., Vehkamäki, H., Kulmala, M.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 445 KB

english, 2003

27

Excess energies of n- and i-octane molecular clusters

Vehkamäki, Hanna, Ford, Ian J.

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 306 KB

english, 2001

28

Binary nucleation kinetics: A matrix method

Vehkamäki, Hanna, Paatero, Pentti, Kulmala, Markku, Laaksonen, Ari

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 738 KB

english, 1994

29

Cluster sizes in direct and indirect molecular dynamics simulations of nucleation

Napari, Ismo, Julin, Jan, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 359 KB

english, 2009

30

Conformality of remote plasma-enhanced atomic layer deposition processes: An experimental study

M. Kariniemi, J. Niinistö, M. Vehkamäki, M. Kemell, M. Ritala, M. Leskelä, M. Putkonen

Year:

2012

Language:

english

File:

PDF, 1.45 MB

english, 2012

31

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

Olenius, T., Kupiainen-Määttä, O., Ortega, I. K., Kurtén, T., Vehkamäki, H.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.45 MB

english, 2013

32

Ternary nucleation of inorganic acids, ammonia, and water

Napari, I., Kulmala, M., Vehkamäki, H.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 391 KB

english, 2002

33

Heterogeneous multicomponent nucleation theorems for the analysis of nanoclusters

Vehkamäki, Hanna, Määttänen, Anni, Lauri, Antti, Kulmala, Markku, Winkler, Paul, Vrtala, Aron, Wagner, Paul E.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 667 KB

english, 2007

34

An improved model for ternary nucleation of sulfuric acid–ammonia–water

Napari, I., Noppel, M., Vehkamäki, H., Kulmala, M.

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 358 KB

english, 2002

35

The role of dimers in evaporation of small argon clusters

Napari, Ismo, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 290 KB

english, 2004

36

Energetics of small n-pentanol clusters from droplet nucleation rate data

Knott, Michael, Vehkamäki, Hanna, Ford, Ian J.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 619 KB

english, 2000

37

Analysis of water–ethanol nucleation rate data with two component nucleation theorems

Vehkamäki, Hanna, Ford, Ian J.

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 599 KB

english, 2000

38

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

Napari, Ismo, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 360 KB

english, 2006

39

Atomic Layer Deposition of Strontium Tantalate Thin Films from Bimetallic Precursors and Water

Vehkamäki, Marko, Ritala, Mikko, Leskelä, Markku, Jones, Anthony C., Davies, Hywel O., Sajavaara, Timo, Rauhala, Eero

Journal:

Journal of The Electrochemical Society

Year:

2004

Language:

english

File:

PDF, 86 KB

english, 2004

40

Comparative study on methodology in molecular dynamics simulation of nucleation

Julin, Jan, Napari, Ismo, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 882 KB

english, 2007

41

Corrosion Protection of Steel with Oxide Nanolaminates Grown by Atomic Layer Deposition

Härkönen, Emma, Díaz, Belén, Światowska, Jolanta, Maurice, Vincent, Seyeux, Antoine, Vehkamäki, Marko, Sajavaara, Timo, Fenker, Martin, Marcus, Philippe, Ritala, Mikko

Journal:

Journal of The Electrochemical Society

Year:

2011

Language:

english

File:

PDF, 625 KB

english, 2011

42

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

Merikanto, Joonas, Zapadinsky, Evgeni, Lauri, Antti, Napari, Ismo, Vehkamäki, Hanna

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 327 KB

english, 2007

43

AIP Conference Proceedings [AIP NUCLEATION AND ATMOSPHERIC AEROSOLS: 19th International Conference - Fort Collins, Colorado, USA (23–28 June 2013)] - Log-log slope analyses of simulated particle formation events at different conditions

Korhonen, Hannele, Malila, Jussi, Vehkamäki, Hanna, Kerminen, Veli-Matti, Lehtinen, Kari E. J.

Year:

2013

Language:

english

File:

PDF, 582 KB

english, 2013

44

AIP Conference Proceedings [AIP NUCLEATION AND ATMOSPHERIC AEROSOLS: 19th International Conference - Fort Collins, Colorado, USA (23–28 June 2013)] - From gas-phase oxidation of SO[sub 2] by SO[sub 4][sup −] to the formation of sulfuric acid

Tsona, Narcisse, Bork, Nicolai, Vehkamäki, Hanna

Year:

2013

Language:

english

File:

PDF, 123 KB

english, 2013

45

AIP Conference Proceedings [AIP NUCLEATION AND ATMOSPHERIC AEROSOLS: 19th International Conference - Fort Collins, Colorado, USA (23–28 June 2013)] - Experimental setup affects the particle formation rate and its slope d(log J)/d(log C)

Kupiainen, Oona, Olenius, Tinja, Vehkamäki, Hanna

Year:

2013

Language:

english

File:

PDF, 858 KB

english, 2013

46

AIP Conference Proceedings [AIP NUCLEATION AND ATMOSPHERIC AEROSOLS: 19th International Conference - Fort Collins, Colorado, USA (23–28 June 2013)] - The charging properties of protonated acetone and acetone clusters

Ruusuvuori, Kai, Hietala, Paula, Kupiainen, Oona, Kurtén, Theo, Vehkamäki, Hanna

Year:

2013

Language:

english

File:

PDF, 65 KB

english, 2013

47

AIP Conference Proceedings [AIP NUCLEATION AND ATMOSPHERIC AEROSOLS: 19th International Conference - Fort Collins, Colorado, USA (23–28 June 2013)] - The effect of early growth dynamics on determining particle formation rates of a nucleating burst

Dal Maso, Miikka, Korhonen, H., Lehtinen, Kari, Vehkamäki, H.

Year:

2013

Language:

english

File:

PDF, 377 KB

english, 2013

48

AIP Conference Proceedings [AIP NUCLEATION AND ATMOSPHERIC AEROSOLS: 19th International Conference - Fort Collins, Colorado, USA (23–28 June 2013)] - Is there an energy barrier in the growth of sulfuric acid clusters?

Olenius, Tinja, Kupiainen, Oona, Ortega, Ismael K., Vehkamäki, Hanna

Year:

2013

Language:

english

File:

PDF, 195 KB

english, 2013

49

AIP Conference Proceedings [AIP NUCLEATION AND ATMOSPHERIC AEROSOLS: 19th International Conference - Fort Collins, Colorado, USA (23–28 June 2013)] - Linking neutral and charged sulfuric acid-ammonia and sulfuric acid-dimethylamine clusters

Ortega, Ismael K., Kupiainen, Oona, Olenius, Tinja, Loukonen, Ville, Kurtén, Theo, Vehkamäki, Hanna

Year:

2013

Language:

english

File:

PDF, 188 KB

english, 2013

50

AIP Conference Proceedings [AIP NUCLEATION AND ATMOSPHERIC AEROSOLS: 19th International Conference - Fort Collins, Colorado, USA (23–28 June 2013)] - The role of highly oxidized organics in new particle formation

Ortega, Ismael K., Vehkamäki, Hanna

Year:

2013

Language:

english

File:

PDF, 176 KB

english, 2013