Yuriko Aoki - RankMe

16 papers Journal 16

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Elongation Method-Based Alternating Multi-Directional Automated Property Optimization Process and Its Application. J. Comput. Chem. Shichen Lin, Yuuichi Orimoto, Yuriko Aoki
2025	J	`jnl`	Through-Space/Through-Bond Energy Decomposition Analysis Clarifies the Mechanism of Transition Mutation in DNA Containing O6-Methylguanine Lesion. J. Comput. Chem. Mariia V. Ivonina, Yuuichi Orimoto, Yuriko Aoki
2020	J	`jnl`	Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers. J. Comput. Chem. Denis Mashkovtsev, Wataru Mizukami, Jacek Korchowiec, Anna Stachowicz-Kusnierz, Yuriko Aoki
2019	J	`jnl`	Extent of structural change during the reaction and its relationship to isoselectivity in polypropylene polymerization with ansa-zirconocene/borate catalyst: A computational study. J. Comput. Chem. Yuuichi Orimoto, Satoru Shirane, Yuriko Aoki
2015	J	`jnl`	Development of minimized mixing molecular orbital method for designing organic ferromagnets. J. Comput. Chem. Xun Zhu, Yuriko Aoki
2015	J	`jnl`	Elongation method for electronic structure calculations of random DNA sequences. J. Comput. Chem. Yuuichi Orimoto, Kai Liu, Yuriko Aoki
2010	J	`jnl`	Describing electron correlation effects in the framework of the elongation method - Elongation-MP2: Formalism, implementation and efficiency. J. Comput. Chem. Marcin Makowski, Jacek Korchowiec, Feng Long Gu, Yuriko Aoki
2010	J	`jnl`	Elongation-CIS method: Describing excited states of large molecular systems in regionally localized molecular orbital basis. J. Comput. Methods Sci. Eng. Marcin Makowski, Feng Long Gu, Yuriko Aoki
2010	J	`jnl`	Theoretical study on nonlinear optical properties of the Li J. Comput. Chem. Guang-Tao Yu, Wei Chen, Feng Long Gu, Yuriko Aoki
2009	J	`jnl`	Elongation cutoff technique armed with quantum fast multipole method for linear scaling. J. Comput. Chem. Jacek Korchowiec, Jakub Lewandowski, Marcin Makowski, Feng Long Gu, Yuriko Aoki
2009	J	`jnl`	The nitrogen edge-doped effect on the static first hyperpolarizability of the supershort single-walled carbon nanotube. J. Comput. Chem. Hong-Liang Xu, Fang-Fang Wang, Zhi-Ru Li, Bing-Qiang Wang, Di Wu, Wei Chen, Guang-Tao Yu, Feng Long Gu, Yuriko Aoki
2007	J	`jnl`	Electronic properties of tricoordinated phosphorus in hexagonal phosphininium compounds and molecular aromaticity. J. Comput. Chem. Wei-Qi Li, Wei-Quan Tian, Ji-Kang Feng, Zi-Zhong Liu, Ai-Min Ren, Chia-Chung Sun, Yuriko Aoki
2006	J	`jnl`	Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems. J. Comput. Chem. Marcin Makowski, Jacek Korchowiec, Feng Long Gu, Yuriko Aoki
2006	J	`jnl`	Elongation method and supermolecule approach for the calculation of nonlinear susceptibilities. Application to the 3-Methyl-4-Nitropyridine 1-Oxide and 2-Methyl-4-Nitroaniline crystals. J. Comput. Methods Sci. Eng. Feng Long Gu, Maxime Guillaume, Edith Botek, Benoît Champagne, Frédéric Castet, Laurent Ducasse, Yuriko Aoki
2006	J	`jnl`	Elongation method for linear scaling SCF calculations of polymers. J. Comput. Methods Sci. Eng. Jacek Korchowiec, Feng Long Gu, Yuriko Aoki
2006	J	`jnl`	Royal crown-shaped electride Li3-N3-Be containing two superatoms: New knowledge on aromaticity. J. Comput. Chem. Zhi-Ru Li, Fang-Fang Wang, Di Wu, Ying Li, Wei Chen, Xiao-Ying Sun, Feng Long Gu, Yuriko Aoki