| Machine Learning-Aided Structure Determination for TiCl4–Capped MgCl2 Nanoplate of Heterogeneous Ziegler–Natta Catalyst G Takasao, T Wada, A Thakur, P Chammingkwan, M Terano, T Taniike Acs Catalysis 9 (3), 2599-2609, 2019 | 56 | 2019 |
| Electronic properties of Ti sites in Ziegler–Natta catalysts A Piovano, M Signorile, L Braglia, P Torelli, A Martini, T Wada, G Takasao, ... ACS Catalysis 11 (15), 9949-9961, 2021 | 42 | 2021 |
| Revisiting the identity of δ-MgCl2: Part I. Structural disorder studied by synchrotron X-ray total scattering T Wada, G Takasao, A Piovano, M D'Amore, A Thakur, P Chammingkwan, ... Journal of catalysis 385, 76-86, 2020 | 40 | 2020 |
| Formation of highly active Ziegler–Natta catalysts clarified by a multifaceted characterization approach A Piovano, T Wada, A Amodio, G Takasao, T Ikeda, D Zhu, M Terano, ... ACS Catalysis 11 (22), 13782-13796, 2021 | 36 | 2021 |
| Revisiting the identity of δ-MgCl2: Part II. Morphology and exposed surfaces studied by vibrational spectroscopies and DFT calculation A Piovano, M D'Amore, T Wada, PC Bruzzese, G Takasao, A Thakur, ... Journal of catalysis 387, 1-11, 2020 | 28 | 2020 |
| Insight into structural distribution of heterogeneous Ziegler–Natta catalyst from non-empirical structure determination G Takasao, T Wada, A Thakur, P Chammingkwan, M Terano, T Taniike Journal of Catalysis 394, 299-306, 2021 | 18 | 2021 |
| Spectroscopic Fingerprints of MgCl2/TiCl4 Nanoclusters Determined by Machine Learning and DFT M D’amore, G Takasao, H Chikuma, T Wada, T Taniike, F Pascale, ... The Journal of Physical Chemistry C 125 (36), 20048-20058, 2021 | 13 | 2021 |
| Structure determination of the δ-MgCl2 support in Ziegler-Natta catalysts T Wada, G Takasao, M Terano, P CHAMMINGKWAN, T Taniike Journal of the Japan Petroleum Institute 65 (3), 88-96, 2022 | 5 | 2022 |
| Accelerating non-empirical structure determination of Ziegler–Natta catalysts with a high-dimensional neural network potential H Chikuma, G Takasao, T Wada, P Chammingkwan, J Behler, T Taniike The Journal of Physical Chemistry C 127 (24), 11683-11691, 2023 | 3 | 2023 |
| Preventing Premature Convergence in Evolutionary Structure Determination of Complex Molecular Systems: Demonstration in Few-Nanometer-Sized TiCl4-Capped MgCl2 Nanoplates G Takasao, T Wada, H Chikuma, P Chammingkwan, M Terano, T Taniike The Journal of Physical Chemistry A 126 (31), 5215-5221, 2022 | 3 | 2022 |
| Dataset of energetically accessible structures of MgCl2/TiCl4 clusters for Ziegler-Natta catalysts G Takasao, T Wada, A Thakur, P Chammingkwan, M Terano, T Taniike Data in Brief 34, 106654, 2021 | 2 | 2021 |
| Deciphering the Role of Internal Donors in Shaping Heterogeneous Ziegler–Natta Catalysts Based on Nonempirical Structural Determination JM da Silveira, H Chikuma, G Takasao, T Wada, P Chammingkwan, ... ACS Catalysis 14 (4), 2300-2312, 2024 | 1 | 2024 |
| Understanding Structure and Properties of MgCl2 Supported Ziegler-Natta Nanoclusters by DFT, Spectroscopy and Machine Learning: How Modelling Uncovers the Origin of Industrial … M D'Amore, G Takasao, H Chikuma, T Wada, T Taniike, F Pascale, ... 1st International Conference on Computational & Applied Physics, 8, 2022 | | 2022 |
| Spectroscopic Fingerprints of MgCl₂/TiCl₄ Nanoclusters Determined by Machine Learning and DFT M D’Amore, G Takasao, H Chikuma, T Wada, T Taniike, F Pascale, ... | | 2021 |
| 機械学習を利用した TiCl4 終端 MgCl2 ナノ粒子の構造決定 G Takasao | | 2019 |
