Kurten, Theo: search on Z-Library

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1

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

Valiev, Rashid R., Cherepanov, Victor, Nasibullin, Rinat, Sundholm, Dage, Kurtén, Theo

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 3.15 MB

english, 2019

2

The Formation of Highly Oxidized Multifunctional Products in the Ozonolysis of Cyclohexene

Rissanen, Matti P., Kurtén, Theo, Sipilä, Mikko, Thornton, Joel A., Kangasluoma, Juha, Sarnela, Nina, Junninen, Heikki, Jørgensen, Solvejg, Schallhart, Simon, Kajos, Maija K., Taipale, Risto, Springer

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 308 KB

english, 2014

3

Can COSMOTherm Predict a Salting in Effect?

Toivola, Martta, Prisle, Nønne L., Elm, Jonas, Waxman, Eleanor M., Volkamer, Rainer, Kurtén, Theo

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.43 MB

english, 2017

4

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

Hirvonen, Viivi, Myllys, Nanna, Kurtén, Theo, Elm, Jonas

Journal:

Journal of Physical Chemistry A

Year:

2018

Language:

english

File:

PDF, 818 KB

english, 2018

5

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

Myllys, Nanna, Elm, Jonas, Halonen, Roope, Kurtén, Theo, Vehkamäki, Hanna

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 1.43 MB

english, 2016

6

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

Hyttinen, Noora, Rissanen, Matti P., Kurtén, Theo

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 868 KB

english, 2017

7

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

Myllys, Nanna, Olenius, Tinja, Kurtén, Theo, Vehkamaki, Hanna, Riipinen, Ilona, Elm, Jonas

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.17 MB

english, 2017

8

Unimolecular Decay of the Dimethyl Substituted Criegee Intermediate in Alkene Ozonolysis: Decay Timescales and the Importance of Tunneling

Drozd, Greg T., Kurtén, Theo, Donahue, Neil M., Lester, Marsha I.

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 785 KB

english, 2017

9

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

Martta Salonen, Theo Kurtén, Hanna Vehkamäki, Torsten Berndt, Markku Kulmala

Journal:

Atmospheric Research

Year:

2009

Language:

english

File:

PDF, 706 KB

english, 2009

10

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

Journal:

Year:

2011

Language:

english

File:

PDF, 73 KB

english, 2011

11

Computational Study of the Clustering of a Cyclohexene Autoxidation Product C 6 H 8 O 7 with Itself and Sulfuric Acid

Elm, Jonas, Myllys, Nanna, Hyttinen, Noora, Kurtén, Theo

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.54 MB

english, 2015

12

Unimolecular HO 2 Loss from Peroxy Radicals Formed in Autoxidation Is Unlikely under Atmospheric Conditions

Hyttinen, Noora, Knap, Hasse C., Rissanen, Matti P., Jørgensen, Solvejg, Kjaergaard, Henrik G., Kurtén, Theo

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 1.13 MB

english, 2016

13

Säurevermittelte Bildung von Radikalen oder Baeyer-Villiger-Oxidation, ausgehend von Criegee-Addukten

Schweitzer-Chaput, Bertrand, Kurtén, Theo, Klussmann, Martin

Journal:

Angewandte Chemie

Year:

2015

Language:

german

File:

PDF, 753 KB

german, 2015

14

Comparing simulated and experimental molecular cluster distributions

Olenius, Tinja, Schobesberger, Siegfried, Kupiainen-Määttä, Oona, Franchin, Alessandro, Junninen, Heikki, Ortega, Ismael K., Kurtén, Theo, Loukonen, Ville, Worsnop, Douglas R., Kulmala, Markku, Vehkam

Journal:

Faraday Discussions

Year:

2013

Language:

english

File:

PDF, 707 KB

english, 2013

15

The Eﬀect of Conformers on Free Energies of Atmospheric Complexes

Partanen, Lauri Johannes, Vehkamaki, Hanna, Hansen, Klavs, Elm, Jonas, Henschel, Henning, Kurtén, Theo, Halonen, Roope, Zapadinsky, Evgeni

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 1.55 MB

english, 2016

16

Is either direct photolysis or photocatalysed H-shift of peroxyl radicals a competitive pathway in the troposphere?

Valiev, Rashid R., Kurten, Theo

Journal:

Royal Society Open Science

Year:

2020

File:

PDF, 797 KB

2020

17

MRCISD Studies of the Dissociation of Vinylhydroperoxide, CH 2 CHOOH: There Is a Saddle Point

Kurtén, Theo, Donahue, Neil M.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 298 KB

english, 2012

18

Kinetic ( T = 201–298 K) and Equilibrium ( T = 320–420 K) Measurements of the C 3 H 5 + O 2 ⇆ C 3 H 5 O 2 Reaction

Rissanen, Matti P., Amedro, Damien, Eskola, Arkke J., Kurten, Theo, Timonen, Raimo S.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.06 MB

english, 2012

19

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

Bork, Nicolai, Du, Lin, Reiman, Heidi, Kurtén, Theo, Kjaergaard, Henrik G.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 556 KB

english, 2014

20

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

Iyer, Siddharth, Lopez-Hilfiker, Felipe, Lee, Ben H., Thornton, Joel A., Kurtén, Theo

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 3.51 MB

english, 2016

21

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

Elm, Jonas, Myllys, Nanna, Kurtén, Theo

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 977 KB

english, 2016

22

Berichtigung: Säurevermittelte Bildung von Radikalen oder Baeyer-Villiger-Oxidation, ausgehend von Criegee-Addukten

Schweitzer-Chaput, Bertrand, Kurtén, Theo, Klussmann, Martin

Journal:

Angewandte Chemie

Year:

2017

Language:

german

File:

PDF, 419 KB

german, 2017

23

Rate enhancement in collisions of sulfuric acid molecules due to long-range intermolecular forces

Halonen, Roope, Zapadinsky, Evgeni, Kurtén, Theo, Vehkamäki, Hanna, Reischl, Bernhard

Journal:

Atmospheric Chemistry and Physics

Year:

2019

File:

PDF, 2.99 MB

2019

24

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

Kurtén, Theo, Lane, Joseph R., Jørgensen, Solvejg, Kjaergaard, Henrik G.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.22 MB

english, 2010

25

Efficient isoprene secondary organic aerosol formation from a non-IEPOX pathway

Liu, Jiumeng, D'Ambro, Emma L., Lee, Ben Hwan, Lopez-Hilfiker, Felipe, Zaveri, Rahul, Rivera-Rios, Jean C., Keutsch, Frank N., Iyer, Siddharth, Kurtén, Theo, Zhang, Zhenfa, Gold, Avram, Surratt, Jason

Journal:

Environmental Science & Technology

Year:

2016

Language:

english

File:

PDF, 969 KB

english, 2016

26

Formation of atmospheric molecular clusters consisting of sulfuric acid and C 8 H 12 O 6 tricarboxylic acid

Elm, Jonas, Myllys, Nanna, Olenius, Tinja, Halonen, Roope, Kurtén, Theo, Vehkamäki, Hanna

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.22 MB

english, 2017

27

What is Required for Highly Oxidized Molecules to Form Clusters with Sulfuric Acid?

Elm, Jonas, Myllys, Nanna, Kurtén, Theo

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 2.56 MB

english, 2017

28

Formation of Highly Oxidized Molecules from NO3 Radical Initiated Oxidation of Δ-3-Carene: A Mechanistic Study

Draper, Danielle C, Myllys, Nanna, Hyttinen, Noora, Møller, Kristian H., Kjaergaard, Henrik Grum, Fry, Juliane L., Smith, James N., Kurtén, Theo

Journal:

ACS Earth and Space Chemistry

Year:

2019

Language:

english

File:

PDF, 1.18 MB

english, 2019

29

Clustering of HClO 4 with Brønsted (H 2 SO 4 , HClO 4 , HNO 3 ) and Lewis acids BX 3 (X = H, F, Cl, Br, OH): a DFT study

Valadbeigi, Younes, Kurtén, Theo

Journal:

New Journal of Chemistry

Year:

2019

File:

PDF, 7.97 MB

2019

30

Can Highly Oxidized Organics Contribute to Atmospheric New Particle Formation?

Ortega, Ismael K., Donahue, Neil M., Kurtén, Theo, Kulmala, Markku, Focsa, Cristian, Vehkamäki, Hanna

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1015 KB

english, 2015

31

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

Henschel, Henning, Kurtén, Theo, Vehkamäki, Hanna

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 866 KB

english, 2016

32

Effects of Chemical Complexity on the Autoxidation Mechanisms of Endocyclic Alkene Ozonolysis Products: From Methylcyclohexenes toward Understanding α-Pinene

Rissanen, Matti P., Kurtén, Theo, Sipilä, Mikko, Thornton, Joel A., Kausiala, Oskari, Garmash, Olga, Kjaergaard, Henrik G., Petäjä, Tuukka, Worsnop, Douglas R., Ehn, Mikael, Kulmala, Markku

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.29 MB

english, 2015

33

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

Hyttinen, Noora, Kupiainen-Määttä, Oona, Rissanen, Matti P., Muuronen, Mikko, Ehn, Mikael, Kurtén, Theo

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 1.42 MB

english, 2015

34

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

Schweitzer-Chaput, Bertrand, Kurtén, Theo, Klussmann, Martin

Journal:

Angewandte Chemie International Edition

Year:

2017

Language:

english

File:

PDF, 455 KB

english, 2017

35

Diamines Can Initiate New Particle Formation in the Atmosphere

Elm, Jonas, Passananti, Monica, Kurtén, Theo, Vehkamaki, Hanna

Journal:

Journal of Physical Chemistry A

Year:

2017

Language:

english

File:

PDF, 1.37 MB

english, 2017

36

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

Kurtén, Theo, Bonn, Boris, Vehkamäki, Hanna, Kulmala, Markku

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 308 KB

english, 2007

37

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

Petäjä, Tuukka, Sipilä, Mikko, Paasonen, Pauli, Nieminen, Tuomo, Kurtén, Theo, Ortega, Ismael K., Stratmann, Frank, Vehkamäki, Hanna, Berndt, Torsten, Kulmala, Markku

Journal:

Physical Review Letters

Year:

2011

Language:

english

File:

PDF, 211 KB

english, 2011

38

Atmospheric Fate of Methyl Vinyl Ketone: Peroxy Radical Reactions with NO and HO 2

Praske, Eric, Crounse, John D., Bates, Kelvin H., Kurtén, Theo, Kjaergaard, Henrik G., Wennberg, Paul O.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 2.08 MB

english, 2015

39

Hydroxyl radical-induced formation of highly oxidized organic compounds

Berndt, Torsten, Richters, Stefanie, Jokinen, Tuija, Hyttinen, Noora, Kurtén, Theo, Otkjær, Rasmus V., Kjaergaard, Henrik G., Stratmann, Frank, Herrmann, Hartmut, Sipilä, Mikko, Kulmala, Markku, Ehn,

Journal:

Nature Communications

Year:

2016

Language:

english

File:

PDF, 1.23 MB

english, 2016

40

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

Kurtén, Theo, Torpo, Leena, Ding, Chang-Geng, Vehkamäki, Hanna, Sundberg, Markku R., Laasonen, Kari, Kulmala, Markku

Journal:

Journal of Geophysical Research

Year:

2007

Language:

english

File:

PDF, 188 KB

english, 2007

41

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

Kurtén, Theo, Elm, Jonas, Prisle, Nønne L., Mikkelsen, Kurt V., Kampf, Christopher J., Waxman, Eleanor M., Volkamer, Rainer

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 879 KB

english, 2015

42

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

Kurtén, Theo, Rissanen, Matti P., Mackeprang, Kasper, Thornton, Joel A., Hyttinen, Noora, Jørgensen, Solvejg, Ehn, Mikael, Kjaergaard, Henrik G.

Journal:

Journal of Physical Chemistry A

Year:

2015

Language:

english

File:

PDF, 3.92 MB

english, 2015

43

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

Schweitzer-Chaput, Bertrand, Kurtén, Theo, Klussmann, Martin

Journal:

Angewandte Chemie International Edition

Year:

2015

Language:

english

File:

PDF, 763 KB

english, 2015

44

The Atmospheric Fate of Monoethanolamine: Enhancing New-particle Formation of Sulfuric Acid as an Important Removal Process

Xie, Hong-bin, Elm, Jonas, Halonen, Roope, Myllys, Nanna, Kurtén, Theo, Kulmala, Markku, Vehkamaki, Hanna

Journal:

Environmental Science & Technology

Year:

2017

Language:

english

File:

PDF, 1.24 MB

english, 2017

45

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

Lappalainen, Hanna K., Kerminen, Veli-Matti, Petäjä, Tuukka, Kurten, Theo, Baklanov, Aleksander, Shvidenko, Anatoly, Bäck, Jaana, Vihma, Timo, Alekseychik, Pavel, Andreae, Meinrat O., Arnold, Stephen

Journal:

Atmospheric Chemistry and Physics

Year:

2016

File:

PDF, 6.01 MB

2016

46

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

Bianchi, Federico, Kurtén, Theo, Riva, Matthieu, Mohr, Claudia, Rissanen, Matti P., Roldin, Pontus, Berndt, Torsten, Crounse, John D., Wennberg, Paul O., Mentel, Thomas F., Wildt, Jürgen, Junninen, He

Journal:

Chemical Reviews

Year:

2019

Language:

english

File:

PDF, 3.61 MB

english, 2019

47

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

Michailoudi, Georgia, Hyttinen, Noora, Kurtén, Theo, Prisle, Nønne L.

Journal:

Journal of Physical Chemistry A

Year:

2020

File:

PDF, 1.48 MB

2020

48

The sign preference in sulfuric acid nucleation

Theo Kurtén, Ismael K. Ortega, Hanna Vehkamäki

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2009

Language:

english

File:

PDF, 258 KB

english, 2009

49

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

MIIKKA DAL MASO, LARISA SOGACHEVA, PASI P. AALTO, ILONA RIIPINEN, MIKA KOMPPULA, PETER TUNVED, LAURA KORHONEN, VILLE SUUR-USKI, ANNE HIRSIKKO, THEO KURTÉN, VELI-MATTI KERMINEN, HEIKKI LIHAVAINEN, YRJÖ

Journal:

Year:

2007

Language:

english

File:

PDF, 211 KB

english, 2007

50

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

Hvelplund, Preben, Pedersen, Jens Olaf Pepke, Støchkel, Kristian, Enghoff, Martin B., Kurtén, Theo

Journal:

International Journal of Mass Spectrometry

Year:

2013

Language:

english

File:

PDF, 742 KB

english, 2013

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