Elongation method for electronic structure calculations of random DNA sequences. - Yuuichi Orimoto; Kai Liu; Yuriko Aoki (J. Comput. Chem., 2015)

Extent of structural change during the reaction and its relationship to isoselectivity in polypropylene polymerization with ansa-zirconocene/borate catalyst: A computational study. - Yuuichi Orimoto; Satoru Shirane; Yuriko Aoki (J. Comput. Chem., 2019)

Through-Space/Through-Bond Energy Decomposition Analysis Clarifies the Mechanism of Transition Mutation in DNA Containing O6-Methylguanine Lesion. - Mariia V. Ivonina; Yuuichi Orimoto; Yuriko Aoki (J. Comput. Chem., 2025)

Elongation Method-Based Alternating Multi-Directional Automated Property Optimization Process and Its Application. - Shichen Lin; Yuuichi Orimoto; Yuriko Aoki (J. Comput. Chem., 2025)