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Items: 1 to 50 of 72

1.

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

Passananti M, Zapadinsky E, Zanca T, Kangasluoma J, Myllys N, Rissanen MP, Kurtén T, Ehn M, Attoui M, Vehkamäki H.

Chem Commun (Camb). 2019 May 25;55(42):5946-5949. doi: 10.1039/c9cc02896j. Epub 2019 May 3.

PMID:
31049542
2.

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

Ahonen L, Li C, Kubečka J, Iyer S, Vehkamäki H, Petäjä T, Kulmala M, Hogan CJ Jr.

J Phys Chem Lett. 2019 Apr 18;10(8):1935-1941. doi: 10.1021/acs.jpclett.9b00453. Epub 2019 Apr 8.

PMID:
30939018
3.

Modeling on Fragmentation of Clusters inside a Mass Spectrometer.

Zapadinsky E, Passananti M, Myllys N, Kurtén T, Vehkamäki H.

J Phys Chem A. 2019 Jan 17;123(2):611-624. doi: 10.1021/acs.jpca.8b10744. Epub 2019 Jan 2.

4.

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

Li H, Zhong J, Vehkamäki H, Kurtén T, Wang W, Ge M, Zhang S, Li Z, Zhang X, Francisco JS, Zeng XC.

J Am Chem Soc. 2018 Sep 5;140(35):11020-11028. doi: 10.1021/jacs.8b04928. Epub 2018 Aug 27.

PMID:
30088767
5.

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

Liu L, Kupiainen-Määttä O, Zhang H, Li H, Zhong J, Kurtén T, Vehkamäki H, Zhang S, Zhang Y, Ge M, Zhang X, Li Z.

J Chem Phys. 2018 Jun 7;148(21):214303. doi: 10.1063/1.5030665.

PMID:
29884029
6.

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

Halonen R, Zapadinsky E, Vehkamäki H.

J Chem Phys. 2018 Apr 28;148(16):164508. doi: 10.1063/1.5023304.

PMID:
29716220
7.

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

Myllys N, Ponkkonen T, Passananti M, Elm J, Vehkamäki H, Olenius T.

J Phys Chem A. 2018 May 24;122(20):4717-4729. doi: 10.1021/acs.jpca.8b02507. Epub 2018 May 11.

PMID:
29693391
8.

Diamines Can Initiate New Particle Formation in the Atmosphere.

Elm J, Passananti M, Kurtén T, Vehkamäki H.

J Phys Chem A. 2017 Aug 17;121(32):6155-6164. doi: 10.1021/acs.jpca.7b05658. Epub 2017 Aug 4.

PMID:
28732163
9.

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

Xie HB, Elm J, Halonen R, Myllys N, Kurtén T, Kulmala M, Vehkamäki H.

Environ Sci Technol. 2017 Aug 1;51(15):8422-8431. doi: 10.1021/acs.est.7b02294. Epub 2017 Jul 11.

PMID:
28651044
10.

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

Myllys N, Olenius T, Kurtén T, Vehkamäki H, Riipinen I, Elm J.

J Phys Chem A. 2017 Jun 29;121(25):4812-4824. doi: 10.1021/acs.jpca.7b03981. Epub 2017 Jun 19.

PMID:
28585824
11.

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

Elm J, Myllys N, Olenius T, Halonen R, Kurtén T, Vehkamäki H.

Phys Chem Chem Phys. 2017 Feb 8;19(6):4877-4886. doi: 10.1039/c6cp08127d.

PMID:
28134369
12.

Effect of Conformers on Free Energies of Atmospheric Complexes.

Partanen L, Vehkamäki H, Hansen K, Elm J, Henschel H, Kurtén T, Halonen R, Zapadinsky E.

J Phys Chem A. 2016 Nov 3;120(43):8613-8624. Epub 2016 Oct 25.

PMID:
27700085
13.

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

Sipilä M, Sarnela N, Jokinen T, Henschel H, Junninen H, Kontkanen J, Richters S, Kangasluoma J, Franchin A, Peräkylä O, Rissanen MP, Ehn M, Vehkamäki H, Kurten T, Berndt T, Petäjä T, Worsnop D, Ceburnis D, Kerminen VM, Kulmala M, O'Dowd C.

Nature. 2016 Sep 22;537(7621):532-534. doi: 10.1038/nature19314. Epub 2016 Aug 31.

14.

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

Lehtipalo K, Rondo L, Kontkanen J, Schobesberger S, Jokinen T, Sarnela N, Kürten A, Ehrhart S, Franchin A, Nieminen T, Riccobono F, Sipilä M, Yli-Juuti T, Duplissy J, Adamov A, Ahlm L, Almeida J, Amorim A, Bianchi F, Breitenlechner M, Dommen J, Downard AJ, Dunne EM, Flagan RC, Guida R, Hakala J, Hansel A, Jud W, Kangasluoma J, Kerminen VM, Keskinen H, Kim J, Kirkby J, Kupc A, Kupiainen-Määttä O, Laaksonen A, Lawler MJ, Leiminger M, Mathot S, Olenius T, Ortega IK, Onnela A, Petäjä T, Praplan A, Rissanen MP, Ruuskanen T, Santos FD, Schallhart S, Schnitzhofer R, Simon M, Smith JN, Tröstl J, Tsagkogeorgas G, Tomé A, Vaattovaara P, Vehkamäki H, Vrtala AE, Wagner PE, Williamson C, Wimmer D, Winkler PM, Virtanen A, Donahue NM, Carslaw KS, Baltensperger U, Riipinen I, Curtius J, Worsnop DR, Kulmala M.

Nat Commun. 2016 May 20;7:11594. doi: 10.1038/ncomms11594.

15.

Strong Hydrogen Bonded Molecular Interactions between Atmospheric Diamines and Sulfuric Acid.

Elm J, Jen CN, Kurtén T, Vehkamäki H.

J Phys Chem A. 2016 May 26;120(20):3693-700. doi: 10.1021/acs.jpca.6b03192. Epub 2016 May 4.

PMID:
27128188
16.

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

Elm J, Myllys N, Luy JN, Kurtén T, Vehkamäki H.

J Phys Chem A. 2016 Apr 14;120(14):2240-9. doi: 10.1021/acs.jpca.6b00677. Epub 2016 Mar 31.

PMID:
26954007
17.

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

Henschel H, Kurtén T, Vehkamäki H.

J Phys Chem A. 2016 Mar 24;120(11):1886-96. doi: 10.1021/acs.jpca.5b11366. Epub 2016 Mar 9.

PMID:
26918813
18.

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

Tsona NT, Bork N, Loukonen V, Vehkamäki H.

J Phys Chem A. 2016 Feb 25;120(7):1046-50. doi: 10.1021/acs.jpca.5b12395. Epub 2016 Feb 9.

PMID:
26821526
19.

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

Myllys N, Elm J, Halonen R, Kurtén T, Vehkamäki H.

J Phys Chem A. 2016 Feb 4;120(4):621-30. doi: 10.1021/acs.jpca.5b09762. Epub 2016 Jan 26.

PMID:
26771121
20.

Can Highly Oxidized Organics Contribute to Atmospheric New Particle Formation?

Ortega IK, Donahue NM, Kurtén T, Kulmala M, Focsa C, Vehkamäki H.

J Phys Chem A. 2016 Mar 10;120(9):1452-8. doi: 10.1021/acs.jpca.5b07427. Epub 2015 Nov 18.

PMID:
26544764
21.

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

Bork N, Loukonen V, Kjaergaard HG, Vehkamäki H.

Phys Chem Chem Phys. 2015 Oct 7;17(37):24478. doi: 10.1039/c5cp90150b. Epub 2015 Aug 27.

PMID:
26312561
22.

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

Tsona NT, Henschel H, Bork N, Loukonen V, Vehkamäki H.

J Phys Chem A. 2015 Sep 17;119(37):9670-9. doi: 10.1021/acs.jpca.5b03030. Epub 2015 Sep 1.

PMID:
26304742
23.

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

Bork N, Loukonen V, Kjaergaard HG, Vehkamäki H.

Phys Chem Chem Phys. 2014 Dec 7;16(45):24685-90. doi: 10.1039/c4cp03828b. Erratum in: Phys Chem Chem Phys. 2015 Oct 7;17(37):24478.

PMID:
25312587
24.

Hydration of atmospherically relevant molecular clusters: computational chemistry and classical thermodynamics.

Henschel H, Navarro JC, Yli-Juuti T, Kupiainen-Määttä O, Olenius T, Ortega IK, Clegg SL, Kurtén T, Riipinen I, Vehkamäki H.

J Phys Chem A. 2014 Apr 10;118(14):2599-611. doi: 10.1021/jp500712y. Epub 2014 Mar 28.

PMID:
24678924
25.

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

Tsona NT, Bork N, Vehkamäki H.

Phys Chem Chem Phys. 2014 Apr 7;16(13):5987-92. doi: 10.1039/c3cp54715a.

PMID:
24549091
26.

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

Kupiainen-Määttä O, Olenius T, Kurtén T, Vehkamäki H.

J Phys Chem A. 2013 Dec 27;117(51):14109-19. doi: 10.1021/jp4049764. Epub 2013 Dec 13.

PMID:
24295489
27.
28.

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 PM, Kulmala M, Wagner PE.

J Chem Phys. 2013 Oct 7;139(13):134107. doi: 10.1063/1.4822046.

PMID:
24116552
29.

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

Schobesberger S, Junninen H, Bianchi F, Lönn G, Ehn M, Lehtipalo K, Dommen J, Ehrhart S, Ortega IK, Franchin A, Nieminen T, Riccobono F, Hutterli M, Duplissy J, Almeida J, Amorim A, Breitenlechner M, Downard AJ, Dunne EM, Flagan RC, Kajos M, Keskinen H, Kirkby J, Kupc A, Kürten A, Kurtén T, Laaksonen A, Mathot S, Onnela A, Praplan AP, Rondo L, Santos FD, Schallhart S, Schnitzhofer R, Sipilä M, Tomé A, Tsagkogeorgas G, Vehkamäki H, Wimmer D, Baltensperger U, Carslaw KS, Curtius J, Hansel A, Petäjä T, Kulmala M, Donahue NM, Worsnop DR.

Proc Natl Acad Sci U S A. 2013 Oct 22;110(43):17223-8. doi: 10.1073/pnas.1306973110. Epub 2013 Oct 7.

30.

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

Almeida J, Schobesberger S, Kürten A, Ortega IK, Kupiainen-Määttä O, Praplan AP, Adamov A, Amorim A, Bianchi F, Breitenlechner M, David A, Dommen J, Donahue NM, Downard A, Dunne E, Duplissy J, Ehrhart S, Flagan RC, Franchin A, Guida R, Hakala J, Hansel A, Heinritzi M, Henschel H, Jokinen T, Junninen H, Kajos M, Kangasluoma J, Keskinen H, Kupc A, Kurtén T, Kvashin AN, Laaksonen A, Lehtipalo K, Leiminger M, Leppä J, Loukonen V, Makhmutov V, Mathot S, McGrath MJ, Nieminen T, Olenius T, Onnela A, Petäjä T, Riccobono F, Riipinen I, Rissanen M, Rondo L, Ruuskanen T, Santos FD, Sarnela N, Schallhart S, Schnitzhofer R, Seinfeld JH, Simon M, Sipilä M, Stozhkov Y, Stratmann F, Tomé A, Tröstl J, Tsagkogeorgas G, Vaattovaara P, Viisanen Y, Virtanen A, Vrtala A, Wagner PE, Weingartner E, Wex H, Williamson C, Wimmer D, Ye P, Yli-Juuti T, Carslaw KS, Kulmala M, Curtius J, Baltensperger U, Worsnop DR, Vehkamäki H, Kirkby J.

Nature. 2013 Oct 17;502(7471):359-63. doi: 10.1038/nature12663. Epub 2013 Oct 6.

PMID:
24097350
31.

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

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

J Chem Phys. 2013 Aug 28;139(8):084312. doi: 10.1063/1.4819024.

PMID:
24007002
32.

Energetics of atmospherically implicated clusters made of sulfuric acid, ammonia, and dimethyl amine.

Leverentz HR, Siepmann JI, Truhlar DG, Loukonen V, Vehkamäki H.

J Phys Chem A. 2013 May 9;117(18):3819-25. doi: 10.1021/jp402346u. Epub 2013 Apr 25.

PMID:
23574537
33.

On the similarity of equilibrium and critical clusters in atomic vapors.

Napari I, Vehkamäki H.

J Chem Phys. 2013 Mar 14;138(10):104504. doi: 10.1063/1.4794997.

PMID:
23514506
34.

Reactions and reaction rate of atmospheric SO2 and O3(-) (H2O)n collisions via molecular dynamics simulations.

Bork N, Loukonen V, Vehkamäki H.

J Phys Chem A. 2013 Apr 18;117(15):3143-8. doi: 10.1021/jp311103z. Epub 2013 Apr 8.

PMID:
23473261
35.

Direct observations of atmospheric aerosol nucleation.

Kulmala M, Kontkanen J, Junninen H, Lehtipalo K, Manninen HE, Nieminen T, Petäjä T, Sipilä M, Schobesberger S, Rantala P, Franchin A, Jokinen T, Järvinen E, Äijälä M, Kangasluoma J, Hakala J, Aalto PP, Paasonen P, Mikkilä J, Vanhanen J, Aalto J, Hakola H, Makkonen U, Ruuskanen T, Mauldin RL 3rd, Duplissy J, Vehkamäki H, Bäck J, Kortelainen A, Riipinen I, Kurtén T, Johnston MV, Smith JN, Ehn M, Mentel TF, Lehtinen KE, Laaksonen A, Kerminen VM, Worsnop DR.

Science. 2013 Feb 22;339(6122):943-6. doi: 10.1126/science.1227385.

36.

How do organic vapors contribute to new-particle formation?

Donahue NM, Ortega IK, Chuang W, Riipinen I, Riccobono F, Schobesberger S, Dommen J, Baltensperger U, Kulmala M, Worsnop DR, Vehkamaki H.

Faraday Discuss. 2013;165:91-104.

PMID:
24600998
37.

Comparing simulated and experimental molecular cluster distributions.

Olenius T, Schobesberger S, Kupiainen-Määttä O, Franchin A, Junninen H, Ortega IK, Kurtén T, Loukonen V, Worsnop DR, Kulmala M, Vehkamäki H.

Faraday Discuss. 2013;165:75-89.

PMID:
24600997
38.

Thermodynamics and kinetics of atmospheric aerosol particle formation and growth.

Vehkamäki H, Riipinen I.

Chem Soc Rev. 2012 Aug 7;41(15):5160-73. doi: 10.1039/c2cs00002d. Epub 2012 Jun 18.

PMID:
22710807
39.

Structural rearrangements and magic numbers in reactions between pyridine-containing water clusters and ammonia.

Ryding MJ, Ruusuvuori K, Andersson PU, Zatula AS, McGrath MJ, Kurtén T, Ortega IK, Vehkamäki H, Uggerud E.

J Phys Chem A. 2012 May 24;116(20):4902-8. doi: 10.1021/jp3021326. Epub 2012 May 11.

PMID:
22559268
40.

Quantitative characterization of critical nanoclusters nucleated on large single molecules.

Winkler PM, Vrtala A, Steiner G, Wimmer D, Vehkamäki H, Lehtinen KE, Reischl GP, Kulmala M, Wagner PE.

Phys Rev Lett. 2012 Feb 24;108(8):085701. Epub 2012 Feb 23.

PMID:
22463542
41.

Rethinking the application of the first nucleation theorem to particle formation.

Vehkamäki H, McGrath MJ, Kurtén T, Julin J, Lehtinen KE, Kulmala M.

J Chem Phys. 2012 Mar 7;136(9):094107. doi: 10.1063/1.3689227.

PMID:
22401429
42.

Experimental observation of strongly bound dimers of sulfuric acid: application to nucleation in the atmosphere.

Petäjä T, Sipilä M, Paasonen P, Nieminen T, Kurtén T, Ortega IK, Stratmann F, Vehkamäki H, Berndt T, Kulmala M.

Phys Rev Lett. 2011 Jun 3;106(22):228302. Epub 2011 Jun 1.

PMID:
21702637
43.

Volatile nanoparticle formation and growth within a diluting diesel car exhaust.

Uhrner U, Zallinger M, von Löwis S, Vehkamäki H, Wehner B, Stratmann F, Wiedensohler A.

J Air Waste Manag Assoc. 2011 Apr;61(4):399-408.

PMID:
21516935
44.

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

Napari I, Julin J, Vehkamäki H.

J Chem Phys. 2010 Oct 21;133(15):154503. doi: 10.1063/1.3502643.

PMID:
20969399
45.

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

McGrath MJ, Ghogomu JN, Tsona NT, Siepmann JI, Chen B, Napari I, Vehkamäki H.

J Chem Phys. 2010 Aug 28;133(8):084106. doi: 10.1063/1.3474945.

PMID:
20815559
46.

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

Julin J, Napari I, Merikanto J, Vehkamäki H.

J Chem Phys. 2010 Jul 28;133(4):044704. doi: 10.1063/1.3456184.

PMID:
20687673
47.

The role of cluster energy nonaccommodation in atmospheric sulfuric acid nucleation.

Kurtén T, Kuang C, Gómez P, McMurry PH, Vehkamäki H, Ortega I, Noppel M, Kulmala M.

J Chem Phys. 2010 Jan 14;132(2):024304. doi: 10.1063/1.3291213.

PMID:
20095671
48.

Cluster sizes in direct and indirect molecular dynamics simulations of nucleation.

Napari I, Julin J, Vehkamäki H.

J Chem Phys. 2009 Dec 28;131(24):244511. doi: 10.1063/1.3279127.

PMID:
20059083
49.
50.

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

Winkler PM, Steiner G, Vrtala A, Vehkamäki H, Noppel M, Lehtinen KE, Reischl GP, Wagner PE, Kulmala M.

Science. 2008 Mar 7;319(5868):1374-7. doi: 10.1126/science.1149034.

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