Meetings

+FY 2019

2019.12.10-14 Materials Research Meeting 2019 [Pacifico Yokohama North(Yokohama, Japan)]: - F1-13-P18 Microscopic Mechanism of SEI Layer Formation in Highly Concentrated Electrolytes Based on the Nonflammable Trimethyl Phosphate Solvent
2019.12.9-11 The 33rd Molecular Simulation Symposium [Nagoya Civic Assembly Hall(Nagoya, Japan)]: - 127P Theoretical study on the suppression mechanism of hydrogen molecules generation from the decomposition of oil lubricant
2019.11.13-15 The 60th Battery Symposium in Japan [Kyoto International Conference Center(Kyoto, Japan)]: - 1B25 Theoretical Study of Salt Concentration Effect on SEI Film Formation in Non-Flammable Electrolyte
2019.9.30-10.3 Ninth Conference of the Asia-Pacific Association of Theoretical and Computational Chemists [Abercrombie Business School, University of Sydney(Sydney, Australia)]: - P012 Microscopic Mechanism of SEI Film Formation in Highly Concentrated Electrolytes Based on Nonflammable Trimethyl Phosphate Solvent
- P092 Full Atomistic Simulation of Ethylene/1-Octene Copolymerization Reaction Process Catalyzed by (Pyridylamido)Hf(IV) Complex
- P124 Microscopic Explanation of the Enantiomeric Excess in SN1 Reaction in Solution: A Full Atomistic Simulation Study
2019.9.17-20 The 13th Annual meeting of Japan Society for Molecular Science [Nagoya University(Nagoya, Japan)]: - 1E09 Red Moon methodology-based computational chemistry for complex reaction systems in molecular condensed state
- 1P081 Theoretical Study on Tacticity of Poly(methyl methacrylate) from Radical Polymerization via Red Moon Methodology
- 1P088 Theoretical study on the role of chloride ions in allosteric regulation of hemoglobin
- 2P119 Theoretical analysis of the active site opening mechanism in olefin polymerization reaction by phenoxy-imine catalyst
- 3P093 Full atomistic simulation of ethylene/1-octene copolymerization reaction process by (pyridylamido)Hf(IV) catalyst
- 3P119 Computational Chemical Analysis of Formation Mechanism of Enantiomers in SN1 Reaction: On Microscopic Origin of the Excess of Enantiomer Formation
- 4P095 Theoretical analysis of the stereoregularity in propylene polymerization reaction by ansa-zirconocene catalyst
- 4P096 Theoretical research of allosteric T-R state transition of human hemoglobin using Motion Tree method
2019.9.16 Symposium for Reaction Path Search 2019 [Noyori Conference Hall, Nagoya University(Nagoya, Japan)]: - [Oral] Exploring Free Energy Surface Towards Chemical Reaction Ergodography: Structural Optimization and Vibrational Frequency Analysis in Solution
- P03 Microscopic Mechanism of SEI Layer Formation in Highly Concentrated Electrolytes Based on the Nonflammable Trimethyl Phosphate Solvent
- P05 Ethylene/1-octene copolymerization simulation by (pyridylamido)Hf(IV) catalyst using Red moon method
- P06 Computational Approach to Understand the Active Site Opening Mechanism for Zirconium Bis(phenoxy-imine) Ion-pair
2019.6.5-7 35th Symposium on Chemical Kinetics and Dynamics [Higashihiroshima City Arts and Culture Hall Kurara(Hiroshima, Japan)]: - 1P10* Theoretical study of olefin polymerization process by (pyridylamido)hafnium(IV) catalyst using computational chemical methods
2019.5.29-31 68th SPSJ Annual [Osaka International Convention Center (Osaka, Japan)]: - 2Pc053 Theoretical analysis of α-olefin polymerization process by Hafnium?pyridyl amido catalyst using computational chemical methods
- 2Pd054 Full atomistic simulation of ethylene polymerization process by Hafnium?pyridyl amido catalyst
2019.5.27-29 The 22th Theoretical Chemistry Symposium [Hokkaido University Conference Hall (Hokkaido, Japan)]: - P8 Ethylene polymerization simulation by (pyridylamido)Hf(IV) catalyst using Red Moon methodology
- P9 Multi-protonation reactions and their solvation changes on Aluminum aqua complex: Development of Constant pH method employing a Quantum Mechanics Method
- P10 Model preparation of radical polymerization of PMMA toward prediction of tacticity by Red Moon methodology

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