Computational Investigation of Substituent Effects on the Alcohol + Carbonyl Channel of Peroxy Radical Self- and Cross-Reactions

Autor: Galib Hasan, Vili-Taneli Salo, Thomas Golin Almeida, Rashid R. Valiev, Theo Kurtén

Publikováno v: The Journal of Physical Chemistry A. 127:1686-1696

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d2b06479c1df9036f1afb8a80e9a1540
https://doi.org/10.1021/acs.jpca.2c08927

Computed Pre-reactive Complex Association Lifetimes Explain Trends in Experimental Reaction Rates for Peroxy Radical Recombinations

Autor: Christopher David Daub, Rashid Valiev, Vili-Taneli Salo, Itai Zakai, R. Benny Gerber, Theo Kurtén

The lifetimes of pre-reactive complexes, although implicitly part of the equations used to model many gas-phase bimolecular reactions, have seldom been included in quantitative calculations of rate coefficients. Here, we demonstrate the application o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4cb28695d4224b831b4867d9433105e8
http://hdl.handle.net/10138/355838

Computational Investigation of the Formation of Peroxide (ROOR) Accretion Products in the OH- and NO3-Initiated Oxidation of alpha-Pinene

Autor: Galib Hasan, Rashid R. Valiev, Vili-Taneli Salo, Theo Kurtén

The formation of accretion products ("dimers") from recombination reactions of peroxyl radicals (RO2) is a key 5 3 step in the gas-phase generation of low-volatility vapors, leading to atmospheric aerosol particles. We have recently demonstrated that

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ec3be1b3489aaf9f43719f7b7da6e348
http://hdl.handle.net/10138/338639

Comparing Reaction Routes for

Autor: Galib, Hasan, Vili-Taneli, Salo, Rashid R, Valiev, Jakub, Kubečka, Theo, Kurtén

Publikováno v: The journal of physical chemistry. A. 124(40)

Organic peroxy radicals (RO

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::27c196a6f9486ee4625756382bd49a70
https://pubmed.ncbi.nlm.nih.gov/32902986

Determination of the collision rate coefficient between charged iodic acid clusters and iodic acid using the appearance time method

Autor: Jonathan Duplissy, Jenni Kontkanen, Dexian Chen, Hanna E. Manninen, A. N. Kvashnin, Mao Xiao, Imad El Haddad, Olli Väisänen, Eva Partoll, Mikko Sipilä, Andrea Christine Wagner, Tuomo Nieminen, Lukas Fischer, Victoria Hofbauer, Rima Baalbaki, Daniela Wimmer, Markku Kulmala, Richard C. Flagan, Paul M. Winkler, Simone Schuchmann, Christian Tauber, Mingyi Wang, A.A. Dias, Sophia Brilke, Yonghong Wang, Janne Pesonen, Chao Yan, Maija Peltola, Vladimir Makhmutov, Randall Chiu, Douglas R. Worsnop, Katrianne Lehtipalo, Henning Finkenzeller, Neil M. Donahue, Changhyuk Kim, Theodore K. Koenig, Kari E. J. Lehtinen, Miguel Vazquez-Pufleau, Yuri Stozhkov, Jasper Kirkby, Qing Ye, Chuan Ping Lee, Stavros Amanatidis, Siddharth Iyer, Arttu Ylisirniö, Matti P. Rissanen, Yee Jun Tham, Antti Onnela, Lauri Ahonen, António Tomé, Vili Taneli Salo, Zijun Li, Josef Dommen, Tuukka Petäjä, Theo Kurtén, Mario Simon, Andreas Kürten, F. Bianchi, Wei Nie, Armin Hansel, Lisa Beck, António Amorim, Joachim Curtius, Martin Heinritzi, Xu-Cheng He, Gerhard Steiner, Jakub Kubečka, Ruby Marten, Yusheng Wu, Siegfried Schobesberger, Markus Leiminger, Houssni Lamkaddam, Juha Kangasluoma, Veli-Matti Kerminen, Dominik Stolzenburg, Rainer Volkamer, Andrea Baccarini, Urs Baltensperger, Lubna Dada

Publikováno v: Aerosol Science & Technology

Ions enhance the formation rate of atmospheric aerosol particles, which play an important role in Earth’s radiative balance. Ion-induced nucleation involves the stepwise accretion of neutral monomers onto a molecular cluster containing an ion, whic

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2565c24adc1ff0485df1ec001790290c
http://cds.cern.ch/record/2812713