Yuriko Aoki
Orcid: 0000-0001-5243-8192
According to our database1,
Yuriko Aoki
authored at least 15 papers
between 2006 and 2020.
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Bibliography
2020
Elongation method with intermediate mechanical and electrostatic embedding for geometry optimizations of polymers.
J. Comput. Chem., 2020
2019
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., 2019
2015
Development of minimized mixing molecular orbital method for designing organic ferromagnets.
J. Comput. Chem., 2015
J. Comput. Chem., 2015
2010
Elongation-CIS method: Describing excited states of large molecular systems in regionally localized molecular orbital basis.
J. Comput. Methods Sci. Eng., 2010
Theoretical study on nonlinear optical properties of the Li<sup>+</sup>[calix[4]pyrrole]Li<sup>-</sup>dimer, trimer and its polymer with diffuse excess electrons.
J. Comput. Chem., 2010
Describing electron correlation effects in the framework of the elongation method - Elongation-MP2: Formalism, implementation and efficiency.
J. Comput. Chem., 2010
2009
The nitrogen edge-doped effect on the static first hyperpolarizability of the supershort single-walled carbon nanotube.
J. Comput. Chem., 2009
<i>Ab initio</i> theory for treating local electron excitations in molecules and its performance for computing optical properties.
J. Comput. Chem., 2009
Elongation cutoff technique armed with quantum fast multipole method for linear scaling.
J. Comput. Chem., 2009
2007
Electronic properties of tricoordinated phosphorus in hexagonal phosphininium compounds and molecular aromaticity.
J. Comput. Chem., 2007
2006
J. Comput. Methods Sci. Eng., 2006
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., 2006
Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems.
J. Comput. Chem., 2006
Royal crown-shaped electride Li3-N3-Be containing two superatoms: New knowledge on aromaticity.
J. Comput. Chem., 2006