المؤلفون: Rashid R. Valiev, Theo Kurten

المصدر: Royal Society Open Science, Vol 7, Iss 9 (2020)

مصطلحات موضوعية: photolysis, peroxide radicals, complete active space 2nd order perturbation theory (CASPT2), ab initio, Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2054-5703

URL الوصول: https://doaj.org/article/159e5b050eb14f4290890f0ae77feafd

المؤلفون: Huan Yang, Umberto Raucci, Siddharth Iyer, Galib Hasan, Thomas Golin Almeida, Shawon Barua, Anni Savolainen, Juha Kangasluoma, Matti Rissanen, Hanna Vehkamäki, Theo Kurtén

المصدر: Nature Communications, Vol 16, Iss 1, Pp 1-12 (2025)

مصطلحات موضوعية: Science

Relation: https://doi.org/10.1038/s41467-025-55985-w; https://doaj.org/toc/2041-1723; https://doaj.org/article/c00364d055f249a1958f3d965593d4d8

الاتاحة: https://doi.org/10.1038/s41467-025-55985-w
https://doaj.org/article/c00364d055f249a1958f3d965593d4d8

المؤلفون: Abolfazl Shiroudi, Theo Kurtén, Jacek Czub

المصدر: Scientific Reports, Vol 15, Iss 1, Pp 1-15 (2025)

مصطلحات موضوعية: Lifetime, Rate coefficient, POCP, Secondary pollutants, Impact assessment, Medicine, Science

Relation: https://doi.org/10.1038/s41598-024-84982-0; https://doaj.org/toc/2045-2322; https://doaj.org/article/a2c5a094159f422b90f737af4ab07efc

الاتاحة: https://doi.org/10.1038/s41598-024-84982-0
https://doaj.org/article/a2c5a094159f422b90f737af4ab07efc

المؤلفون: Christopher David Daub, Theo Kurtén

مصطلحات موضوعية: Biophysics, Biochemistry, Biotechnology, Ecology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, new particle formation, 5 kcal mol, 2 v å, 01 v å, intense laser fields, geometric distortion play, common bimolecular clusters, e ., <, applied electric field, >| ≤ 0, electric field, large fields, clusters play, field response, e <, simply calculating, npf ), near interfaces, low values, larger role, induced dipole, important role, experimental interest

Relation: https://figshare.com/articles/journal_contribution/Effect_of_an_Electric_Field_on_the_Structure_and_Stability_of_Atmospheric_Clusters/24994567

الاتاحة: https://doi.org/10.1021/acs.jpca.3c07260.s001
https://figshare.com/articles/journal_contribution/Effect_of_an_Electric_Field_on_the_Structure_and_Stability_of_Atmospheric_Clusters/24994567

المؤلفون: Jakub Kubečka, Vitus Besel, Ivo Neefjes, Yosef Knattrup, Theo Kurtén, Hanna Vehkamäki, Jonas Elm

مصطلحات موضوعية: Medicine, Sociology, Computational Biology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, three main functionalities, even dynamic behaviors, choose appropriate combinations, atmospheric cluster database, 10965 – 10984, molecular cluster configurations, clusters containing flexible, complex configurational spaces, molecular clusters modeled, facilitate database construction, handling molecular clusters, jammy key framework, molecular clusters, jammy key, radical clusters, configurational sampling, thus increases, quantum chemistry, party programs, multiconformer monomers, machine learning, interaction patterns, integrated third

Relation: https://figshare.com/articles/journal_contribution/Computational_Tools_for_Handling_Molecular_Clusters_Configurational_Sampling_Storage_Analysis_and_Machine_Learning/24559905

الاتاحة: https://doi.org/10.1021/acsomega.3c07412.s001
https://figshare.com/articles/journal_contribution/Computational_Tools_for_Handling_Molecular_Clusters_Configurational_Sampling_Storage_Analysis_and_Machine_Learning/24559905

المؤلفون: Siddharth Iyer, Avinash Kumar, Anni Savolainen, Shawon Barua, Christopher Daub, Lukas Pichelstorfer, Pontus Roldin, Olga Garmash, Prasenjit Seal, Theo Kurtén, Matti Rissanen

المصدر: Nature Communications, Vol 14, Iss 1, Pp 1-1 (2023)

مصطلحات موضوعية: Science

Relation: https://doi.org/10.1038/s41467-023-44213-y; https://doaj.org/toc/2041-1723; https://doaj.org/article/5e42b920269f43f6aad505cb818051ef

الاتاحة: https://doi.org/10.1038/s41467-023-44213-y
https://doaj.org/article/5e42b920269f43f6aad505cb818051ef

المؤلفون: Siddharth Iyer, Avinash Kumar, Anni Savolainen, Shawon Barua, Christopher Daub, Lukas Pichelstorfer, Pontus Roldin, Olga Garmash, Prasenjit Seal, Theo Kurtén, Matti Rissanen

المصدر: Nature Communications, Vol 14, Iss 1, Pp 1-8 (2023)

مصطلحات موضوعية: Science

Relation: https://doi.org/10.1038/s41467-023-40675-2; https://doaj.org/toc/2041-1723; https://doaj.org/article/9a922836cdd14a9581edaac19d7d6082

الاتاحة: https://doi.org/10.1038/s41467-023-40675-2
https://doaj.org/article/9a922836cdd14a9581edaac19d7d6082

المؤلفون: Vitus Besel, Milica Todorović, Theo Kurtén, Patrick Rinke, Hanna Vehkamäki

المصدر: Scientific Data, Vol 10, Iss 1, Pp 1-11 (2023)

مصطلحات موضوعية: Science

Relation: https://doi.org/10.1038/s41597-023-02366-x; https://doaj.org/toc/2052-4463; https://doaj.org/article/d6ef769c765b4c4896d80d09fca99824

الاتاحة: https://doi.org/10.1038/s41597-023-02366-x
https://doaj.org/article/d6ef769c765b4c4896d80d09fca99824

المؤلفون: Emma L. D’Ambro (2880584), Noora Hyttinen (1480264), Kristian H. Møller (3933854), Siddharth Iyer (1391008), Rasmus V. Otkjær (1426954), David M. Bell (1575094), Jiumeng Liu (2034475), Felipe D. Lopez-Hilfiker (3301050), Siegfried Schobesberger (1712272), John E. Shilling (1600912), Alla Zelenyuk (1694722), Henrik G. Kjaergaard (1298550), Joel A. Thornton (1296897), Theo Kurtén (1298547)

مصطلحات موضوعية: Biochemistry, Medicine, Cell Biology, Genetics, Cancer, Infectious Diseases, use computational methods, highly oxidized products, efficient hom formation, alkoxy bond scission, volatility soa dominated, oh system oxidation, 10 , soa ), pinene system, photochemical oxidation, work develops, understudied source, surprising role, suggested mechanism, speciated gas, relatively low, primary hydrogens, previous studies, present chamber, potentially important, particle phases, methyl groups, measured compositions, gas phase

Relation: https://figshare.com/articles/journal_contribution/Pathways_to_Highly_Oxidized_Products_in_the_3-Carene_OH_System/19122911

الاتاحة: https://doi.org/10.1021/acs.est.1c06949.s001

المؤلفون: Michael Boy, Putian Zhou, Theo Kurtén, Dean Chen, Carlton Xavier, Petri Clusius, Pontus Roldin, Metin Baykara, Lukas Pichelstorfer, Benjamin Foreback, Jaana Bäck, Tuukka Petäjä, Risto Makkonen, Veli-Matti Kerminen, Mari Pihlatie, Juho Aalto, Markku Kulmala

المصدر: npj Climate and Atmospheric Science, Vol 5, Iss 1, Pp 1-10 (2022)

مصطلحات موضوعية: Environmental sciences, GE1-350, Meteorology. Climatology, QC851-999

Relation: https://doi.org/10.1038/s41612-022-00292-0; https://doaj.org/toc/2397-3722; https://doaj.org/article/e887d2778866411a845d1c050fc16bd1

الاتاحة: https://doi.org/10.1038/s41612-022-00292-0
https://doaj.org/article/e887d2778866411a845d1c050fc16bd1

المؤلفون: Galib Hasan (7023353), Rashid R. Valiev (1486678), Vili-Taneli Salo (7023356), Theo Kurtén (1298547)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Genetics, Cancer, Infectious Diseases, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, systematic conformational sampling, latter value demonstrates, competitive process also, atmospheric aerosol particles, two alkoxy radicals, likely proceeds via, key biogenic hydrocarbon, different diastereomer pairs, 6 , 20 , 2 , rates exceeding 10, ′) clusters formed, isc rate calculations, find large differences, experimentally observed gas, atmospheric aerosol formation, 10 , α ‑ pinene, least 10, peroxyl radicals

Relation: https://figshare.com/articles/journal_contribution/Computational_Investigation_of_the_Formation_of_Peroxide_ROOR_Accretion_Products_in_the_OH-_and_NO_sub_3_sub_Initiated_Oxidation_of_Pinene/17152904

الاتاحة: https://doi.org/10.1021/acs.jpca.1c08969.s001

المؤلفون: Noora Hyttinen (1480264), Matthieu Wolf (10686652), Matti P. Rissanen (1582054), Mikael Ehn (1480267), Otso Peräkylä (10686655), Theo Kurtén (1298547), Nønne L. Prisle (4354459)

مصطلحات موضوعية: Biophysics, Medicine, Immunology, Inorganic Chemistry, Infectious Diseases, Virology, Computational Biology, Chemical Sciences not elsewhere classified, α- pinene-derived accretion products, COSMO therm Oxidized, saturation mass concentrations, dimers, compound, OH, recombination vs liquid-phase close., COSMO therm 19, contrast, formation, saturation vapor pressures, e.g, Oxygenated Dimers Evaluated, COSMO therm estimates, COSMO therm 19 program, SIMPOL .1 group-contribution method, SOA, H-bond donors, OOH, aerosol

Relation: https://figshare.com/articles/journal_contribution/Gas-to-Particle_Partitioning_of_Cyclohexene-_and_Pinene-Derived_Highly_Oxygenated_Dimers_Evaluated_Using_COSMO_i_therm_i_/14466229

الاتاحة: https://doi.org/10.1021/acs.jpca.0c11328.s001

المؤلفون: Antti Toropainen (10509031), Juha Kangasluoma (1712203), Theo Kurtén (1298547), Hanna Vehkamäki (1390984), Fatemeh Keshavarz (4845190), Jakub Kubečka (2828228)

مصطلحات موضوعية: Medicine, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, cluster size distribution dynamics, 10 seeds, multicomponent systems, 25 seeds, condensation particle counters, nucleation rate, Seed Size Effects, quantum chemistry, sea spray aerosol, aerosol studies, accurate-enough combinations, seed size, Seed Charge, butanol saturation ratios, Computational Study, Na 10 Cl 9, calibration purposes, Na 9 Cl 10, Heterogeneous Nucleation, model systems, molecular-level insights, nucleation process, sodium chloride, NaCl seeds, configurational sampling

Relation: https://figshare.com/articles/journal_contribution/Heterogeneous_Nucleation_of_Butanol_on_NaCl_A_Computational_Study_of_Temperature_Humidity_Seed_Charge_and_Seed_Size_Effects/14351338

الاتاحة: https://doi.org/10.1021/acs.jpca.0c10972.s001

المؤلفون: Siddharth Iyer, Matti P. Rissanen, Rashid Valiev, Shawon Barua, Jordan E. Krechmer, Joel Thornton, Mikael Ehn, Theo Kurtén

المصدر: Nature Communications, Vol 12, Iss 1, Pp 1-6 (2021)

مصطلحات موضوعية: Science

Relation: https://doi.org/10.1038/s41467-021-21172-w; https://doaj.org/toc/2041-1723; https://doaj.org/article/a5c1f50ac78743d481848f3b42f2f0de

الاتاحة: https://doi.org/10.1038/s41467-021-21172-w
https://doaj.org/article/a5c1f50ac78743d481848f3b42f2f0de

المؤلفون: Xu-Cheng He (8990621), Siddharth Iyer (1391008), Mikko Sipilä (9574278), Arttu Ylisirniö (9574281), Maija Peltola (9574284), Jenni Kontkanen (9074199), Rima Baalbaki (1664899), Mario Simon (1712275), Andreas Kürten (9574287), Yee Jun Tham (7473767), Janne Pesonen (9574290), Lauri R. Ahonen (9574293), Stavros Amanatidis (6812141), Antonio Amorim (90751), Andrea Baccarini (8990618), Lisa Beck (7306544), Federico Bianchi (455941), Sophia Brilke (6616622), Dexian Chen (3813778), Randall Chiu (9574296), Joachim Curtius (1712257), Lubna Dada (7473743), Antonio Dias (9574299), Josef Dommen (1600993), Neil M. Donahue (1340037), Jonathan Duplissy (1712221), Imad El Haddad (1414666), Henning Finkenzeller (7473749), Lukas Fischer (3749242), Martin Heinritzi (1712245), Victoria Hofbauer (7473734), Juha Kangasluoma (1712203), Changhyuk Kim (6812144), Theodore K. Koenig (1601008), Jakub Kubečka (9574302), Aleksandr Kvashnin (9574305), Houssni Lamkaddam (3482213), Chuan Ping Lee (7473752), Markus Leiminger (1712278), Zijun Li (396846), Vladimir Makhmutov (1712281), Mao Xiao (7473773), Ruby Marten (7473758), Wei Nie (175261), Antti Onnela (1712269), Eva Partoll (7473761), Tuukka Petäjä (2927265), Vili-Taneli Salo (7023356), Simone Schuchmann (7473764), Gerhard Steiner (6616634), Dominik Stolzenburg (7473737), Yuri Stozhkov (6616637), Christian Tauber (8173977), António Tomé (9574308), Olli Väisänen (5465762), Miguel Vazquez-Pufleau (7473770), Rainer Volkamer (1518121), Andrea C. Wagner (6616640), Mingyi Wang (91634), Yonghong Wang (61187), Daniela Wimmer (1712242), Paul M. Winkler (1340040), Douglas R. Worsnop (526445), Yusheng Wu (1457692), Chao Yan (150844), Qing Ye (90197), Kari Lehtinen (9574311), Tuomo Nieminen (753542), Hanna E. Manninen (7473755), Matti Rissanen (2615977), Siegfried Schobesberger (1712272), Katrianne Lehtipalo (1712260), Urs Baltensperger (1414681), Armin Hansel (350835), Veli-Matti Kerminen (9074202), Richard C. Flagan (1940569), Jasper Kirkby (1712248), Theo Kurtén (534856), Markku Kulmala (537537)

مصطلحات موضوعية: Biophysics, Biochemistry, Microbiology, Cell Biology, Biotechnology, Immunology, Astronomical and Space Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Jingkun Jiang

Relation: https://figshare.com/articles/journal_contribution/Determination_of_the_Collision_Rate_Coefficient_between_Charged_Iodic_Acid_Clusters_and_Iodic_Acid_using_the_Appearance_Time_Method/13154583

الاتاحة: https://doi.org/10.6084/m9.figshare.13154583.v2

المؤلفون: Rashid R. Valiev, Theo Kurten

مصطلحات موضوعية: Physical Chemistry not elsewhere classified, Theoretical and Computational Chemistry not elsewhere classified, Chemical Sciences not elsewhere classified, photolysis, peroxide radicals, CASPT2, ab initio

Relation: https://figshare.com/articles/journal_contribution/Data_for_the_photolysis_cross_section_calculation_from_Is_either_direct_photolysis_or_photocatalysed_H-shift_of_peroxyl_radicals_a_competitive_pathways_in_the_troposphere_/12871939

الاتاحة: https://doi.org/10.6084/m9.figshare.12871939.v1
https://figshare.com/articles/journal_contribution/Data_for_the_photolysis_cross_section_calculation_from_Is_either_direct_photolysis_or_photocatalysed_H-shift_of_peroxyl_radicals_a_competitive_pathways_in_the_troposphere_/12871939

المؤلفون: Kaisa Rissanen, Teemu Hölttä, Luís F. M. Barreira, Noora Hyttinen, Theo Kurtén, Jaana Bäck

المصدر: Frontiers in Forests and Global Change, Vol 2 (2019)

مصطلحات موضوعية: scots pine, resin pressure, resin composition, tree water potential, monoterpene emissions, Forestry, SD1-669.5, Environmental sciences, GE1-350

Relation: https://www.frontiersin.org/article/10.3389/ffgc.2019.00023/full; https://doaj.org/toc/2624-893X; https://doaj.org/article/9b89e0ad798641be906d72ff4a7db067

الاتاحة: https://doi.org/10.3389/ffgc.2019.00023
https://doaj.org/article/9b89e0ad798641be906d72ff4a7db067

المؤلفون: Pontus Roldin, Mikael Ehn, Theo Kurtén, Tinja Olenius, Matti P. Rissanen, Nina Sarnela, Jonas Elm, Pekka Rantala, Liqing Hao, Noora Hyttinen, Liine Heikkinen, Douglas R. Worsnop, Lukas Pichelstorfer, Carlton Xavier, Petri Clusius, Emilie Öström, Tuukka Petäjä, Markku Kulmala, Hanna Vehkamäki, Annele Virtanen, Ilona Riipinen, Michael Boy

المصدر: Nature Communications, Vol 10, Iss 1, Pp 1-15 (2019)

مصطلحات موضوعية: Science

Relation: https://doi.org/10.1038/s41467-019-12338-8; https://doaj.org/toc/2041-1723; https://doaj.org/article/44d7925ecfeb40f08bf4925e80ac9daf

الاتاحة: https://doi.org/10.1038/s41467-019-12338-8
https://doaj.org/article/44d7925ecfeb40f08bf4925e80ac9daf

المؤلفون: Henning Finkenzeller, Siddharth Iyer, Xu-Cheng He, Mario Simon, Theodore K. Koenig, Christopher F. Lee, Rashid Valiev, Victoria Hofbauer, Antonio Amorim, Rima Baalbaki, Andrea Baccarini, Lisa Beck, David M. Bell, Lucía Caudillo, Dexian Chen, Randall Chiu, Biwu Chu, Lubna Dada, Jonathan Duplissy, Martin Heinritzi, Deniz Kemppainen, Changhyuk Kim, Jordan Krechmer, Andreas Kürten, Alexandr Kvashnin, Houssni Lamkaddam, Chuan Ping Lee, Katrianne Lehtipalo, Zijun Li, Vladimir Makhmutov, Hanna E. Manninen, Guillaume Marie, Ruby Marten, Roy L. Mauldin, Bernhard Mentler, Tatjana Müller, Tuukka Petäjä, Maxim Philippov, Ananth Ranjithkumar, Birte Rörup, Jiali Shen, Dominik Stolzenburg, Christian Tauber, Yee Jun Tham, António Tomé, Miguel Vazquez-Pufleau, Andrea C. Wagner, Dongyu S. Wang, Mingyi Wang, Yonghong Wang, Stefan K. Weber, Wei Nie, Yusheng Wu, Mao Xiao, Qing Ye, Marcel Zauner-Wieczorek, Armin Hansel, Urs Baltensperger, Jérome Brioude, Joachim Curtius, Neil M. Donahue, Imad El Haddad, Richard C. Flagan, Markku Kulmala, Jasper Kirkby, Mikko Sipilä, Douglas R. Worsnop, Theo Kurten, Matti Rissanen, Rainer Volkamer

المساهمون: Tampere University, Physics, Department of Chemistry, INAR Physical Chemistry, Institute for Atmospheric and Earth System Research (INAR), Polar and arctic atmospheric research (PANDA), INAR Physics, Air quality research group, Helsinki Institute of Physics

مصطلحات موضوعية: particle formation, General Chemical Engineering, nucleation, 116 Chemical sciences, emissions, General Chemistry, chemistry, ammonia, 114 Physical sciences, sulfuric-acid, in-situ, methanesulfonic-acid, impacts, Chemical Physics and Chemistry, sea-surface

وصف الملف: fulltext

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3403c2cde35c731404175d1f3eaa58e6
https://trepo.tuni.fi/handle/10024/143599

المؤلفون: Aurora Skyttä, Jian Gao, Runlong Cai, Mikael Ehn, Lauri R. Ahonen, Theo Kurten, Zhibin Wang, Matti P. Rissanen, Juha Kangasluoma

المساهمون: Tampere University, Physics, Institute for Atmospheric and Earth System Research (INAR), Department of Chemistry, Department of Physics, INAR Physical Chemistry

مصطلحات موضوعية: MECHANISM, Aerosols, Ions, Air Pollutants, 116 Chemical sciences, OH, DEGRADATION, OXIDATION, 114 Physical sciences, EVAPORATION, Ozone, GAS, Monoterpenes, SPECTROMETER, ORGANIC-MOLECULES, Physical and Theoretical Chemistry, AUTOXIDATION, Bicyclic Monoterpenes

وصف الملف: fulltext

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::314508be35b76adce0a5c471d7dc0d04
https://trepo.tuni.fi/handle/10024/141929