- Halsten Zhang
- Dec 5, 2024
D. Zhang, N. Kishimoto, R. Miyake, Conformational Changes and Coordination Stability of Flexible Tripeptides During Ni(II)-mediated Self-assembly, ChemPlusChem 2024, e202400536. https://doi.org/10.1002/cplu.202400536
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Get Busy Living or Get Busy Dying.
About Me.
I am currently working as an academic researcher at the Reaction Dynamics Laboratory, Department of Chemistry, Tohoku University, Japan.
My work focuses on:
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DFT, First Principles Calculations
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Organometallic Compounds
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Self-Assembly
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Supramolecular
Software
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Gaussian
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GRRM
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Quantum ESPRESSO
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Orca
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Psi4
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xtb
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NAMD
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Gromacs
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OriginLab
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NCIPLOT
Code
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Python
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C/C++
Language
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English
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Japanese
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Chinese
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German
Search
- Halsten Zhang
- Dec 5, 2024
Zhang, D.; Kishimoto, N. 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, 5075. https://doi.org/10.3390/molecules29215075
- Halsten Zhang
- Sep 2, 2024
Updated: Dec 5, 2024
Zhang, D.; Kishimoto, N. Theoretical Analysis of Coordination Geometries in Transition Metal–Histidine Complexes Using Quantum Chemical Calculations. Molecules 2024, 29, 3003. https://doi.org/10.3390/molecules29133003
Contact
Have any questions regarding my posts? Don’t hesitate to reach out.
Aoba-6-3 Aramaki, Aoba Ward, Sendai, Miyagi, 980-0845, Japan
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