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| Zhang D, Kishimoto N. (2025) Global Potential Energy Surface Investigation of Cyanoformaldehyde and Its Conformational Dynamics, Decomposition Pathways, and Water-Involved Bimolecular Reactions. Acs Omega. 10: 18924-18935 |
| Zhang D, Kishimoto N. (2025) Global Reaction Route Mapping of CHO: Isomerization Pathways, Dissociation Channels, and Bimolecular Reaction with a Water Molecule. Molecules (Basel, Switzerland). 30 |
| Zhang D, Kishimoto N. (2024) Theoretical Investigation of Interconversion Pathways and Intermediates in Hydride/Silyl Exchange of Niobocene Hydride-Silyl Complexes: A DFT Study Incorporating Conformational Search and Interaction Region Indicator (IRI) Analysis. Molecules (Basel, Switzerland). 29 |
| Xue H, Xi Y, Kishimoto N. (2024) Quantum Chemical Model Calculations of Adhesion and Dissociation between Epoxy Resin and Si-Containing Molecules. Molecules (Basel, Switzerland). 29 |
| Zhang D, Kishimoto N, Miyake R. (2024) Conformational Changes and Coordination Stability of Flexible Tripeptides During Ni(II)-Mediated Self-Assembly. Chempluschem. e202400536 |
| Zhang D, Kishimoto N. (2024) Theoretical Analysis of Coordination Geometries in Transition Metal-Histidine Complexes Using Quantum Chemical Calculations. Molecules (Basel, Switzerland). 29 |
| Zhang D, Kishimoto N. (2024) Quantum Chemical Investigation into the Structural Analysis and Calculated Raman Spectra of Amylose Modeled with Linked Glucose Molecules. Molecules (Basel, Switzerland). 29 |
| Zhang D, Kishimoto N, Miyake R. (2023) Quantum Chemical Calculations of Flexible Tripeptide-Ni(II) Ion-Mediated Supramolecular Fragments and Comparative Analysis of Tripeptide Complexes with Various Metal(II) Ions. The Journal of Physical Chemistry. A. 127: 9733-9742 |
| Ohno K, Kishimoto N, Iwamoto T, et al. (2020) High performance global exploration of isomers and isomerization channels on quantum chemical potential energy surface of H C NO. Journal of Computational Chemistry |
| Ohno K, Kishimoto N, Iwamoto T, et al. (2017) Global exploration of isomers and isomerization channels on the quantum chemical potential energy surface of H CNO. Journal of Computational Chemistry. 38: 669-687 |