| Toward controlling the metallocene/methylaluminoxane-catalyzed olefin polymerization process by a computational approach MS Kuklin, JT Hirvi, M Bochmann, M Linnolahti Organometallics 34 (14), 3586-3597, 2015 | 56 | 2015 |
| Stabilization of magnesium dichloride surface defects by mono-and bidentate donors MS Kuklin, AS Bazhenov, P Denifl, T Leinonen, M Linnolahti, ... Surface Science 635, 5-10, 2015 | 46 | 2015 |
| Electronic band structures of pristine and chemically modified cellulose allomorphs D Srivastava, MS Kuklin, J Ahopelto, AJ Karttunen Carbohydrate polymers 243, 116440, 2020 | 26 | 2020 |
| Crystal structure prediction of magnetic transition-metal oxides by using evolutionary algorithm and hybrid DFT methods MS Kuklin, AJ Karttunen The Journal of Physical Chemistry C 122 (43), 24949-24957, 2018 | 25 | 2018 |
| Structural Properties and Magnetic Ground States of 100 Binary d-Metal Oxides Studied by Hybrid Density Functional Methods MS Kuklin, K Eklund, J Linnera, A Ropponen, N Tolvanen, AJ Karttunen Molecules 27 (3), 874, 2022 | 22 | 2022 |
| Controlling the Microstructure of Isotactic Polypropene by C2‐Symmetric Zirconocene Polymerization Catalysts: Influence of Alkyl Substituents on Regio‐ and … MS Kuklin, V Virkkunen, PM Castro, L Resconi, M Linnolahti European Journal of Inorganic Chemistry 2015 (26), 4420-4428, 2015 | 16 | 2015 |
| Evolutionary Algorithm‐based Crystal Structure Prediction for Gold (I) Fluoride K Eklund, MS Kuklin, F Kraus, AJ Karttunen ChemPhysChem 21 (8), 802-808, 2020 | 9 | 2020 |
| Quantitative structure–property relationships in propene polymerization by zirconocenes with a rac-SiMe2 [Ind] 2 based ligand framework MS Kuklin, V Virkkunen, PM Castro, VV Izmer, DS Kononovich, ... Journal of Molecular Catalysis A: Chemical 412, 39-46, 2016 | 9 | 2016 |
| Evolutionary Algorithm‐Based Crystal Structure Prediction for Copper (I) Fluoride MS Kuklin, L Maschio, D Usvyat, F Kraus, AJ Karttunen Chemistry–A European Journal 25 (49), 11528-11537, 2019 | 7 | 2019 |
| Мономолекулярные превращения орто-винилфенилнитрозооксида МС Куклин, МР Талипов, СЛ Хурсан, РЛ Сафиуллин Вестник Башкирского университета 16 (2), 330-335, 2011 | 6 | 2011 |
| Computational Study of Adsorption of CO2, SO2, and H2CO on Free-Standing and Molybdenum-Supported CaO Films MS Kuklin, K Honkala, H Hakkinen The Journal of Physical Chemistry C 123 (13), 7758-7765, 2018 | 5 | 2018 |
| Structure and dynamics of CaO films: A computational study of an effect of external static electric field MS Kuklin, AS Bazhenov, K Honkala, S Tosoni, G Pacchioni, H Häkkinen Physical Review B 95 (16), 165423, 2017 | 3 | 2017 |
| Evolutionary Algorithm-Based Crystal Structure Prediction of CuxZnyOz Ternary Oxides MS Kuklin, AJ Karttunen Molecules 28 (16), 5986, 2023 | 2 | 2023 |
| Unifying the description of hydrocarbons and hydrogenated carbon materials with a chemically reactive machine learning interatomic potential R Ibragimova, MS Kuklin, T Zarrouk, MA Caro Chemistry of Materials, 2024 | 1 | 2024 |
| Illustration of Data Agents network of Aalto University: Data Agents: How to put research data management into practice? M Kuklin, R Darst, E Glerean, D Häggman, C Icheln, M Jalava, ... Research Data Alliance Plenary: Data Makes the Differrence, 2019 | | 2019 |
| Stabilization of ideal and defective MgCl2 surfaces by internal donors: a computational study MS Kuklin Itä-Suomen yliopisto, 2013 | | 2013 |
Antti J. KarttunenAssociate Professor, Inorganic Materials Chemistry, Aalto UniversityZweryfikowany adres z aalto.fi