Yuriko Aoki

Publication Activity (10 Years)

Years Active: 2006-2020
Publications (10 Years): 2

Top Topics

Top Venues

J. Comput. Chem.

Publications

Denis Mashkovtsev, Wataru Mizukami, Jacek Korchowiec, Anna Stachowicz-Kusnierz, Yuriko Aoki
Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers. J. Comput. Chem. 41 (25) (2020)
Yuuichi Orimoto, Satoru Shirane, Yuriko Aoki
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. 40 (30) (2019)
Xun Zhu, Yuriko Aoki
Development of minimized mixing molecular orbital method for designing organic ferromagnets. J. Comput. Chem. 36 (16) (2015)
Yuuichi Orimoto, Kai Liu, Yuriko Aoki
Elongation method for electronic structure calculations of random DNA sequences. J. Comput. Chem. 36 (28) (2015)
Marcin Makowski, Jacek Korchowiec, Feng Long Gu, Yuriko Aoki
Describing electron correlation effects in the framework of the elongation method - Elongation-MP2: Formalism, implementation and efficiency. J. Comput. Chem. 31 (8) (2010)
Marcin Makowski, Feng Long Gu, Yuriko Aoki
Elongation-CIS method: Describing excited states of large molecular systems in regionally localized molecular orbital basis. J. Comput. Methods Sci. Eng. 10 (3-6) (2010)
Guang-Tao Yu, Wei Chen, Feng Long Gu, Yuriko Aoki
dimer, trimer and its polymer with diffuse excess electrons. J. Comput. Chem. 31 (4) (2010)
Masanori Miura, Yuriko Aoki
theory for treating local electron excitations in molecules and its performance for computing optical properties. J. Comput. Chem. 30 (14) (2009)
Hong-Liang Xu, Fang-Fang Wang, Zhi-Ru Li, Bing-Qiang Wang, Di Wu, Wei Chen, Guang-Tao Yu, Feng Long Gu, Yuriko Aoki
The nitrogen edge-doped effect on the static first hyperpolarizability of the supershort single-walled carbon nanotube. J. Comput. Chem. 30 (7) (2009)
Jacek Korchowiec, Jakub Lewandowski, Marcin Makowski, Feng Long Gu, Yuriko Aoki
Elongation cutoff technique armed with quantum fast multipole method for linear scaling. J. Comput. Chem. 30 (15) (2009)
Wei-Qi Li, Wei-Quan Tian, Ji-Kang Feng, Zi-Zhong Liu, Ai-Min Ren, Chia-Chung Sun, Yuriko Aoki
Electronic properties of tricoordinated phosphorus in hexagonal phosphininium compounds and molecular aromaticity. J. Comput. Chem. 28 (9) (2007)
Feng Long Gu, Maxime Guillaume, Edith Botek, Benoît Champagne, Frédéric Castet, Laurent Ducasse, Yuriko Aoki
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. 6 (1-4) (2006)
Zhi-Ru Li, Fang-Fang Wang, Di Wu, Ying Li, Wei Chen, Xiao-Ying Sun, Feng Long Gu, Yuriko Aoki
Royal crown-shaped electride Li3-N3-Be containing two superatoms: New knowledge on aromaticity. J. Comput. Chem. 27 (8) (2006)
Jacek Korchowiec, Feng Long Gu, Yuriko Aoki
Elongation method for linear scaling SCF calculations of polymers. J. Comput. Methods Sci. Eng. 6 (1-4) (2006)
Marcin Makowski, Jacek Korchowiec, Feng Long Gu, Yuriko Aoki
Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems. J. Comput. Chem. 27 (13) (2006)