Research Output

Publications

2025

• M. Ogasawara, S. Tanaka, K. Komatsu, N. Kishimoto, D. Zhang, T. Yoneda, Y. Inokuma, M. Morimoto, A. Ohta, H. Asakawa, Interaction Force Landscapes within and Surrounding Hydrophobic Nanopockets Revealed by Three-Dimensional Scanning Atomic Force Microscopy, J. Phys. Chem. C 2025, XXXX, XXX, XXX-XXX. https://doi.org/10.1021/acs.jpcc.5c06181

• D. Zhang, N. Kishimoto, Navigating Chemical Space through Isomerization Networks and Intermolecular Encounters of Seven Five-Atom Organic Species, ACS Phys. Chem Au 2025, 5, 6, 740–755, https://doi.org/10.1021/acsphyschemau.5c00092

• D. Zhang, N. Kishimoto, Global Potential Energy Surface Investigation of Cyanoformaldehyde and Its Conformational Dynamics, Decomposition Pathways, and Water-Involved Bimolecular Reactions, ACS Omega 2025, 10, 18, 18924–18935. https://doi.org/10.1021/acsomega.5c00949

• D. Zhang, N. Kishimoto, Global Reaction Route Mapping of C3H2O: Isomerization Pathways, Dissociation Channels, and Bimolecular Reaction with a Water Molecule, Molecules 2025, 30(8), 1829. https://doi.org/10.3390/molecules30081829

• D. Zhang, N. Kishimoto, R. Miyake, Conformational Changes and Coordination Stability of Flexible Tripeptides During Ni(II)-mediated Self-assembly, ChemPlusChem 2025, 90, e202400536. https://doi.org/10.1002/cplu.202400536

2024

• D. Zhang, N. Kishimoto, 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 2024, 29(21), 5075. https://doi.org/10.3390/molecules29215075

• D. Zhang, N. Kishimoto, Theoretical Analysis of Coordination Geometries in Transition Metal–Histidine Complexes Using Quantum Chemical Calculations, Molecules 2024, 29(13), 3003. https://doi.org/10.3390/molecules29133003

• D. Zhang, N. Kishimoto, Quantum Chemical Investigation into the Structural Analysis and Calculated Raman Spectra of Amylose Modeled with Linked Glucose Molecules, Molecules 2024, 29(12), 2842. https://doi.org/10.3390/molecules29122842

2023

• D. Zhang, N. Kishimoto, R. Miyake, Quantum Chemical Calculations of Flexible Tripeptide-Ni(II) Ion-Mediated Supramolecular Fragments and Comparative Analysis of Tripeptide Complexes with Various Metal(II) Ions, J. Phys. Chem. A 2023, 127, 46, 9733–9742. https://doi.org/10.1021/acs.jpca.3c05277

Preprints

• R. Miyake, S. Tanaka, Y. Sato, K. Yonezawa, M. Morimoto, K. Ueno-Noto, D. Zhang, N. Kishimoto, H. Hatano, H. Asakawa, N. Shimizu, Contribution of kinetics and thermodynamics to the metal-mediated assembly of a flexible tripeptide into giant discrete structures, ChemRxiv. 2025. https://doi.org/10.26434/chemrxiv-2025-mpqzh

Presentations

2025

• W. Zhang, G. Pandey, M. Kanno, D. Zhang, N. Kishimoto, N. Rapp, A. Dorn, F. Remacle, K. Ueda, T. Pfeifer, R. Moshammer, "Time-resolved angular dependence of two-body fragmentation of methane in strong laser fields," The 8th International Symposium on Intense Field, Short Wavelength Atomic and Molecular Processes, 26.Sat.5 (Oral), 2025/07/26, Nagoya.

2023

• D. Zhang, N. Kishimoto, R. Miyake, "Quantum Chemical Investigation of Metal(II) Ion Coordination Configurations with Flexible Tripeptides," The 73rd Japan Society of Coordination Chemistry Conference, 1PB-16 (Poster), 2023/09/21, Mito.

• D. Zhang, N. Kishimoto, R. Miyake, "Quantum Chemical Insight for the Initial Stage of Ni(II)-Mediated Self-Assembly of a Flexible Tripeptide Forming Giant Cyclic Complexes," 20th Symposium on Host-Guest and Supramolecular Chemistry, 1P32 (Poster), 2023/06/17, Tokyo.

• D. Zhang, N. Kishimoto, R. Miyake, "Quantum chemical analysis of coordination stability of flexible tripeptides and nickel ions self-assembling to form macrocyclic supramolecules," The 103rd Chemical Society of Japan Annual Meeting, K202-2pm-04 (Oral), 2023/03/23, Noda.

2022

• D. Zhang, N. Kishimoto, R. Miyake, "Quantum chemical analysis of the coordination stability between flexible tripeptides and nickel ions using the GRRM program," Symposium on New Frontier of Chemical Reaction Path Search 2022, P28 (Poster), 2022/09/18, Yokohama.

• D. Zhang, N. Kishimoto, R. Miyake, "Quantum Investigation of the Initial Formation Process of Self-Assembled Macrocyclic Supramolecular using Quantum Chemical Calculations," 19th Symposium on Host-Guest and Supramolecular Chemistry, 1P66 (Poster), 2022/06/04, Okayama.

2021

• D. Zhang, W. I. Sari, N. Kishimoto, "Analysis of Raman spectra by quantum chemical calculations of modelized starch," Symposium on New Frontier of Chemical Reaction Path Search 2021, P03 (Poster), 2021/09/22, online.

• T. Saki, N. Kishimoto, D. Zhang, M. Morimoto, H. Asakawa, "Understanding the self-assembly mechanism of tetrapod-shaped molecules for molecular design of chiral recognition nano-spaces," The 82nd Japan Society of Applied Physics Autumn Meeting 2021, 10a-N207-2 (Oral), 2021/09/10, online.

2020

• D. Zhang, N. Kishimoto, R. Miyake, "Quantum chemical calculations of giant metal complexes: structural optimization of macrocyclic supramolecules by the GRRM method," Symposium on New Frontier of Chemical Reaction Path Search 2020, P02 (Poster), 2020/09/13, online.

• N. Kishimoto, Y. Xi, D. Zhang, "Study on cyclization reaction of cyanate resin by quantum chemical reaction path searching method," The 100th Chemical Society of Japan Annual Meeting, 1E2-37 (Oral), 2020/03/22, Noda.

• D. Zhang, N. Kishimoto, R. Miyake, "Quantum Chemical Calculation for Metal Complex: Structural Optimization of a Macrocyclic Supramolecule," Joint Symposium of Graduate Schools of Science and Life Sciences 2020, P20 (Poster), 2020/02/14, Sendai. (Poster Award)

2019

• D. Zhang, N. Kishimoto, R. Miyake, "Structural Optimization of a Macrocyclic Supramolecule," Symposium on New Frontier of Chemical Reaction Path Search 2019, P08 (Poster), 2019/09/16, Nagoya.

• D. Zhang, N. Kishimoto, R. Miyake, "Quantum chemical exploration search for conformational isomers of tripeptide ligands in macrocyclic metal complexes," The 22nd Annual Meeting of Japan Society of Theoretical Chemistry, P46 (Poster), 2019/05/28, Sapporo.