フォロー
Gentoku Takasao
タイトル
引用先
引用先
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
532019
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
382020
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
322021
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
262021
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
262020
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
152021
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
122021
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
22022
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
22021
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, 2023
12023
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, 2300-2312, 2023
2023
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
2022
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
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論文 1–15