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Physical Chemistry Chemical Physics : PCCP|May 22, 2020
DFT insight into axial ligand effects on electronic structure and mechanistic reactivity of oxoiron(iv) porphyrinZhifeng Ma, Naoki Nakatani, Hiroshi Fujii, et al.The Journal of Physical Chemistry. B|March 17, 2009
Theoretical study of dioxygen binding process in iron(III) catechol dioxygenase: "oxygen activation" vs "substrate activation"Naoki Nakatani, Yoshihide Nakao, Hirofumi Sato, et al.Physical Chemistry Chemical Physics : PCCP|December 13, 2019
Time-dependent DFT study of the K-edge spectra of vanadium and titanium complexes: effects of chloride ligands on pre-edge featuresJun Yi, Naoki Nakatani, Kotohiro Nomura, et al.The Journal of Chemical Physics|November 19, 2025
Efficient optimization of low-rank antisymmetric product of geminals wavefunction using the direct Givens rotation methodAiri Kawasaki, Rei Oshima, Naoki Nakatani, et al.Sensors (Basel, Switzerland)|August 10, 2024
Development and Investigation of a Grasping Analysis System with Two-Axis Force Sensors at Each of the 16 Points on the Object Surface for a Hardware-Based FinRay-Type Soft GripperTakahide Kitamura, Kojiro Matsushita, Naoki Nakatani, et al.Physical Chemistry Chemical Physics : PCCP|August 22, 2015
Energy dissipative photoprotective mechanism of carotenoid spheroidene from the photoreaction center of purple bacteria Rhodobacter sphaeroidesSundaram Arulmozhiraja, Naoki Nakatani, Akira Nakayama, et al.Dalton Transactions (Cambridge, England : 2003)|October 27, 2015
Platinum-catalyzed reduction of amides with hydrosilanes bearing dual Si-H groups: a theoretical study of the reaction mechanismNaoki Nakatani, Jun-ya Hasegawa, Yusuke Sunada, et al.Journal of Computational Chemistry|April 3, 2019
Substitution effects on olefin epoxidation catalyzed by Oxoiron(IV) porphyrin π-cation radical complexes: A dft studyZhifeng Ma, Kasumi Ukaji, Naoki Nakatani, et al.The Journal of Physical Chemistry. A|May 21, 2014
Excited states of a significantly ruffled porphyrin: computational study on structure-induced rapid decay mechanism via intersystem crossingFu-Quan Bai, Naoki Nakatani, Akira Nakayama, et al.The Journal of Organic Chemistry|June 13, 2019
Theoretical Study on the Rhodium-Catalyzed Hydrosilylation of C═C and C═O Double Bonds with Tertiary SilaneLiming Zhao, Naoki Nakatani, Yusuke Sunada, et al.Pageof 17