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The Journal of Physical Chemistry. A|February 26, 2025
Acidity Prediction in Arbitrary Solvents: Machine Learning Based on Semiempirical Molecular Orbital CalculationRima Suzuki, Hirotoshi MoriChemical Communications (Cambridge, England)|September 16, 2025
Reconciling color purity and redox potential in electrochromic materials via electronic-state-informed molecular designDaisuke Goto, Hirotoshi MoriThe 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 MoriScientific Reports|March 29, 2017
Origin of high oxygen reduction reaction activity of Pt12 and strategy to obtain better catalyst using sub-nanosized Pt-alloy clustersKasumi Miyazaki, Hirotoshi MoriThe Journal of Physical Chemistry Letters|August 5, 2024
Avoiding Photocyclized Degradation of Electrochromic Materials Based on Quantum Chemical Molecular DesignDaisuke Goto, Hirotoshi MoriPhysical Chemistry Chemical Physics : PCCP|April 10, 2025
Electronic insights into the role of nuclear quantum effects in proton transfer reactions of nucleobase pairsKohei Motoki, Hirotoshi MoriRSC Advances|February 9, 2023
On donor-acceptor-bridging intramolecular hydrogen bonds in NIR-TADF moleculesFabian Weber, Hirotoshi MoriACS Omega|July 3, 2026
Quantum Chemical Insights into the Initial Reaction Pathways Governing the Self-Ignition of Hypergolic Ionic Liquids with H2O2Miori Nogamida, Hirotoshi MoriThe Journal of Physical Chemistry. B|April 8, 2011
A theoretical study of the physicochemical mechanisms associated with DNA recognition modulation in artificial zinc-finger proteinsHirotoshi Mori, Kaori Ueno-NotoInorganic Chemistry|March 28, 2026
Electronic-Structure Informatics Guided Identification of Actinide/Lanthanide Selectivity FactorsTsuyoshi Sumiyoshi, Nahoko Kuroki, Hirotoshi MoriPageof 4