Nagaoka Laboratory Graduate School of Information Science, Nagoya University


+FY 2015
-2016.03.24-27 The 96th CSJ Annual Meeting[Kyotanabe Campus, Doshisha University(Kyoto, Japan)]
1B5-51 Molecular Dynamics Investigation of the Nucleophilic Attack Mechanism for the Ring-Opening Reaction of Cyclodextrin Included Lactone
2PC-060 Molecular dynamics study on the behavior of the Hf catalyst and the counter anion in chain shuttling polymerization
-2016.01.25-28 The Seventh Asia-Pacific Conference of Theoretical and Computational Chemistry [Kaohsiung (Taiwan)]
I71C Computational Molecular Technology towards Macroscopic Chemical Phenomena: Molecular Control of Complex Chemical Reactions, Stereospecificity and Aggregate Structures
PS41 Additive Effect of Difluoroethylene Carbonate on the Solid Electrolyte Interphase Film Formation in Sodium-Ion Batteries: A Quantum chemical and Hybrid MC/MD Simulation
-2015.12.15-20 The 2015 International Chemical Congress of Pacific Basin Societies[Honolulu (Hawaii, USA)]
1780 - Hidden roles of Na+ in enzymatic activation of thrombin
1898 - Molecular dynamics analysis of reactant complex structure of lactone ring-opening reaction catalyzed by cyclodextrin
1900 - Role of water molecule on the reaction mechanism of CAL-B catalyzed ring-opening polymerization of β-lactam: A QM/MM study
1920 - On “allosteric” regulation through dynamical intermolecular interactions between proteins and small molecules/cations: A molecular dynamics simulation study
2002 - Oxygen behavior inside and surface of hemoglobin for respiratory function
-2015.11.30-12.02 The 29th Annual Meeting of the Molecular Simulation Society of Japan [Toki Messe (Niigata, Japan)]
256P Theoretical study of reversible reaction with hybrid MC/MD reaction method: Role of reaction rate constant and frequency factor@
-2015.11.11-13 The 56th Battery Symposium in Japan[WINC Aichi (Aichi, Japan)]
1E28 Theoretical Study on Additive Effect of FEC for Solid Electrolyte Interphase (SEI) Film Formation in Na-Ion Battery
3A18 Additive Effect of Difluoroethylene Carbonate for the Solid Electrolyte Interphase Film Formation in Sodium-Ion Batteries: A Computational Chemical Study
-2015.11.9-13 The Thirteenth International Kyoto Conference on New Aspects of Organic Chemistry (IKCOC-13)[Rihga Royal Hotel KYOTO (Kyoto, Japan)]
- Molecular Dynamics simulations on the [(CH3)2Si(Ind)2ZrMe(C3H6)]+[CH3B(C6F5)3]- ion pair Catalyst for Insertion step in the Polymerization reaction
-2015.9.16-19 The 9th Annual Meeting of Japan Society for Molecular Science[Tokyo Institute of Technology, Ookayama Campus (Tokyo, Japan)]
1P099 Mechanistic Studies of Co-polymerization via ZnR2-mediated Chain shuttling between Zr and Hf Catalysts
1P103 Development of molecular simulation method depending on the pH conditions
2P086 Lactone ring-opening reaction catalyzed by cyclodextrin: mechanism of reactant complex formation in initiation reaction
3P119 Theoretical study of polymer chain exchange reaction toward understanding chain-shuttling polymerization
4P048 Computational analysis of anisotropic behavior of methyl methacrylate in porous coordination polymers
4P074 Roles of sodium ion's distribution in thrombin-substrate association reaction
-2015.5.20-22 The 18th Theoretical Chemistry Symposium[Osaka University Hall (Osaka, Japan)]
1L04 Roles of Na+ on thrombin-substrate association reaction
2L02 Theoretical study on the formation mechanism of solid electrolyte interphase (SEI) film on anode surface in secondary battery
1P09 Stereochemistry of propylene polymerization on C2 symmetric [SiH2(Ind)2ZrCH3]+
2P22 QM/MM study of CAL-B catalyzed ring-opening polymerization of β-lactam: role of water molecule on the reaction mechanism
2P25 Reactant Complex Structure in Initiation Reaction of Ring-Opening Polymerization of Lactone Catalyzed by Cyclodextrin: Atomistic Structure Analysis of Initiation Reaction by Molecular Dynamics Approach
2P28 Theoretical study of correspondence of MC cycle to real time in hybrid MC/MD reaction method: application to reversible reaction