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Physical Chemistry Chemical Physics : PCCP|March 18, 2026
DFT-based mechanistic study of a bifunctional Al-porphyrin catalyst for CO2/PO and TsNCO polymerizations toward polycarbonates and polyurethanesManussada Ratanasak, Yuwanda Injongkol, Yasuteru ShigetaJournal of Computational Chemistry|October 7, 2016
Refractive indices of organo-metallic and -metalloid compounds: A long-range corrected DFT studyShintaro Maekawa, Krzysztof Moorthi, Yasuteru ShigetaJournal of Chemical Information and Modeling|December 27, 2022
Free-Energy Profiles for Membrane Permeation of Compounds Calculated Using Rare-Event Sampling MethodsRyuhei Harada, Rikuri Morita, Yasuteru ShigetaNihon Eiseigaku Zasshi. Japanese Journal of Hygiene|October 1, 1990
[Toxicity of bis (tri-n-butyltin) oxide on learning and development in the rat]K Miyake, T Misawa, S ShigetaJournal of Chemical Theory and Computation|September 2, 2017
Assessment of Methodology and Chemical Group Dependences in the Calculation of the pKa for Several Chemical GroupsToru Matsui, Yasuteru Shigeta, Kenji MorihashiJournal of Chemical Theory and Computation|April 13, 2016
TaBoo SeArch Algorithm with a Modified Inverse Histogram for Reproducing Biologically Relevant Rare Events of ProteinsRyuhei Harada, Yu Takano, Yasuteru ShigetaJournal of Chemical Theory and Computation|August 15, 2019
Nontargeted Parallel Cascade Selection Molecular Dynamics Using Time-Localized Prediction of Conformational Transitions in Protein DynamicsRyuhei Harada, Vladimir Sladek, Yasuteru ShigetaNihon Hotetsu Shika Gakkai Zasshi|April 29, 2005
[Kinematic analysis of limitation of mouth opening of temporomandibular disorders by rotation and translation of the condyle]Eriko Ando, Yuko Shigeta, Takumi OgawaLangmuir : the ACS Journal of Surfaces and Colloids|June 16, 2025
Carbodiphosphorane as an Electron-Donating Ligand for Gold NanoclustersTaro Shigeta, Shinjiro Takano, Tatsuya TsukudaOcular Immunology and Inflammation|January 30, 2002
BCG inoculation and corticosteroid sensitivityT Tanaka, M Shigeta, M UsuiPageof 10,966