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The Journal of Physical Chemistry. B|December 12, 2018
Applicability of Effective Fragment Potential Version 2-Molecular Dynamics (EFP2-MD) Simulations for Predicting Dynamic Liquid Properties Including the Supercritical Fluid PhaseNahoko Kuroki, Hirotoshi MoriAdvanced Science (Weinheim, Baden-Wurttemberg, Germany)|December 23, 2025
Ligand-Induced Electronic Response Enables Predictive QM/MM SimulationsNichika Ozawa, Nahoko Kuroki, Hirotoshi MoriInorganic Chemistry|March 28, 2026
Electronic-Structure Informatics Guided Identification of Actinide/Lanthanide Selectivity FactorsTsuyoshi Sumiyoshi, Nahoko Kuroki, Hirotoshi MoriACS Omega|May 1, 2023
COSMO-RS Exploration of Highly CO<sub>2</sub>-Selective Hydrogen-Bonded Binary Liquid Absorbents under Humid Conditions: Role of Trace Ionic SpeciesShiori Watabe, Nahoko Kuroki, Hirotoshi MoriScientific Reports|November 13, 2022
Electronic fluctuation difference between trimethylamine N-oxide and tert-butyl alcohol in waterNahoko Kuroki, Yukina Uchino, Tamon Funakura, et al.The Journal of Physical Chemistry Letters|February 27, 2025
Realizing Ultrafine Color Tuning of Organic Electronics Materials by Electronic State InformaticsDaisuke Goto, Yusuke Kanebako, Kengo Takashima, et al.The Journal of Physical Chemistry. B|February 24, 2023
Machine Learning-Boosted Design of Ionic Liquids for CO<sub>2</sub> Absorption and Experimental VerificationNahoko Kuroki, Yuki Suzuki, Daisuke Kodama, et al.Pageof 1