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Dalton Transactions (Cambridge, England : 2003)|May 21, 2020
Solution XANES and EXAFS analysis of active species of titanium, vanadium complex catalysts in ethylene polymerisation/dimerisation and syndiospecific styrene polymerisationJun Yi, Naoki Nakatani, Kotohiro NomuraThe Journal of Chemical Physics|December 4, 2025
Multi-reference perturbation theories based on the DOCI wavefunctionYutaro Otani, Kaho Nakatani, Naoki NakataniPhysical Chemistry Chemical Physics : PCCP|October 19, 2023
How does multi-reference computation change the catalysis chemistry? DFT and CASPT2 studies of the Cu-catalysed coupling reactions between aryl iodides and β-diketonesNan He, Naoki Nakatani, Masahiko HadaPhysical Chemistry Chemical Physics : PCCP|October 11, 2019
How to understand very weak Cr-Cr double bonds and negative spin populations in trinuclear Cr complexes: theoretical insightMasayuki Nakagaki, Naoki Nakatani, Shigeyoshi SakakiThe Journal of Physical Chemistry. B|April 6, 2011
Multistate CASPT2 study of native iron(III)-dependent catechol dioxygenase and its functional models: electronic structure and ligand-to-metal charge-transfer excitationNaoki Nakatani, Yutaka Hitomi, Shigeyoshi SakakiChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|January 4, 2022
Mechanistic Insights into the Selectivity of Norcarane Oxidation by Oxo-Manganese(V) Porphyrin ComplexesZhifeng Ma, Naoki Nakatani, Masahiko HadaJournal of Computational Chemistry|August 27, 2021
Insights into the electronic structure and mechanism of norcarane hydroxylation by OxoMn(V) porphyrin complexes: A density functional theory studyZhifeng Ma, Naoki Nakatani, Masahiko HadaSensors (Basel, Switzerland)|December 23, 2023
Analysis of Contact Force and Shape Change on Grasping a Square Object Using an Actual Fin Ray Soft GripperTakahide Kitamura, Kojiro Matsushita, Naoki NakataniJournal of the American Chemical Society|June 26, 2007
Red light in chemiluminescence and yellow-green light in bioluminescence: color-tuning mechanism of firefly, Photinus pyralis, studied by the symmetry-adapted cluster-configuration interaction methodNaoki Nakatani, Jun-Ya Hasegawa, Hiroshi NakatsujiNature Communications|April 7, 2023
Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistrySeunghoon Lee, Joonho Lee, Huanchen Zhai, et al.Pageof 17