화학공학소재연구정보센터
검색결과 : 11건
No. Article
1 Solubility and Activity Coefficients of Atmospheric Surfactants in Aqueous Solution Evaluated Using COSMOtherm
Michailoudi G, Hyttinen N, Kurten T, Prisle NL
Journal of Physical Chemistry A, 124(2), 430, 2020
2 Improving Solubility and Activity Estimates of Multifunctional Atmospheric Organics by Selecting Conformers in COSMOtherm
Hyttinen N, Prisle NL
Journal of Physical Chemistry A, 124(23), 4801, 2020
3 Strong Even/Odd Pattern in the Computed Gas-Phase Stability of Dicarboxylic Acid Dimers: Implications for Condensation Thermodynamics
Elm J, Hyttinen N, Lin JJ, Kurten T, Prisle NL
Journal of Physical Chemistry A, 123(44), 9594, 2019
4 Computational Comparison of Different Reagent Ions in the Chemical Ionization of Oxidized Multifunctional Compounds
Hyttinen N, Otkjaer RV, Iyer S, Kjaergaard HG, Rissanen MP, Wennberg PO, Kurten T
Journal of Physical Chemistry A, 122(1), 269, 2018
5 Computational Comparison of Acetate and Nitrate Chemical Ionization of Highly Oxidized Cyclohexene Ozonolysis Intermediates and Products
Hyttinen N, Rissanen MP, Kurten T
Journal of Physical Chemistry A, 121(10), 2172, 2017
6 Computational and Experimental Investigation of the Detection of HO2 Radical and the Products of Its Reaction with Cyclohexene Ozonolysis Derived RO2 Radicals by an Iodide-Based Chemical Ionization Mass Spectrometer
Iyer S, He XC, Hyttinen N, Kurten T, Rissanen MP
Journal of Physical Chemistry A, 121(36), 6778, 2017
7 Unimolecular HO2 Loss from Peroxy Radicals Formed in Autoxidation Is Unlikely under Atmospheric Conditions
Hyttinen N, Knap HC, Rissanen MP, Jorgensen S, Kjaergaard HG, Kurten T
Journal of Physical Chemistry A, 120(20), 3588, 2016
8 Cost-Effective Implementation of Multiconformer Transition State Theory for Peroxy Radical Hydrogen Shift Reactions
Moller KH, Otkjaer RV, Hyttinen N, Kurten T, Kjaergaard HG
Journal of Physical Chemistry A, 120(51), 10072, 2016
9 Computational Study of the Clustering of a Cyclohexene Autoxidation Product C6H8O7 with Itself and Sulfuric Acid
Elm J, Myllys N, Hyttinen N, Kurten T
Journal of Physical Chemistry A, 119(30), 8414, 2015
10 Computational Study of Hydrogen Shifts and Ring-Opening Mechanisms in alpha-Pinene Ozonolysis Products
Kurten T, Rissanen MP, Mackeprang K, Thornton JA, Hyttinen N, Jorgensen S, Ehn M, Kjaergaard HG
Journal of Physical Chemistry A, 119(46), 11366, 2015