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Journal of Molecular Modeling|April 17, 2015
Interaction of OH- with xylan and its hydrated complexes: structures and molecular dynamics study using elongation methodLin Jin, Kai Liu, Yuriko AokiChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|March 14, 2015
Intermediate electrostatic field for the generalized elongation methodKai Liu, Jacek Korchowiec, Yuriko AokiJournal of Computational Chemistry|September 5, 2015
Elongation method for electronic structure calculations of random DNA sequencesYuuichi Orimoto, Kai Liu, Yuriko AokiThe Journal of Chemical Physics|March 16, 2015
Ab initio O(N) elongation-counterpoise method for BSSE-corrected interaction energy analyses in biosystemsYuuichi Orimoto, Ryohei Yamamoto, Peng Xie, et al.Journal of Molecular Modeling|June 1, 2014
Intermediate electrostatic field for the elongation methodPiotr Kuźniarowicz, Kai Liu, Yuriko Aoki, et al.The Journal of Physical Chemistry. A|December 11, 2012
Sharp increase in the (hyper)polarizabilities of quinoid-type isonaphtothiophene (INT) oligomers: a quantum chemical insightLizhi Jiang, Yuriko AokiThe Journal of Physical Chemistry. A|August 2, 2007
Strong electron correlation effects on first- and second-order hyperpolarizabilities in zwitterionic sigma-conjugated systems: its dependence on substituents, conformations, spacer size, and basis setsYuuichi Orimoto, Yuriko AokiJournal of Computational Chemistry|March 7, 2009
Ab initio theory for treating local electron excitations in molecules and its performance for computing optical propertiesMasanori Miura, Yuriko AokiJournal of Chemical Theory and Computation|December 3, 2015
Analytical Method for Predicting Ferromagnetic Properties of Benzyl-Radical Polymers Based on NBMO TheoryYuuichi Orimoto, Yuriko AokiJournal of Computational Chemistry|April 24, 2015
Development of minimized mixing molecular orbital method for designing organic ferromagnetsXun Zhu, Yuriko AokiPageof 549