491. CO Oxidation and NO Reduction on MgO(100) Supported Pd Cluster: A Quantum Chemical Molecular Dynamics Study [Journal of Physical Chemistry C 115 (2011) 24123-24132]
Farouq Ahmed, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto

 

492. Evaluation of the Degradation of Fuel Cell Hybrids [ECS Transactions 42 (2012) 273-284]
Mark C. Williams, Wolfgang Winkler, Ai Suzuki, Akira Miyamoto


 

493. Evaluation of the Degradation of Fuel Cell Heat Engine Hybrids for Renewable Fuels [Resoures Processing 59 (2012) 155-161]
Mark C. Williams, Wolfgang Winkler, Ai Suzuki, Akira Miyamoto


 

494. Restoration of p53–DNA interaction loss upon R273H mutation by CP-31398: an ultra accelerated quantum chemical molecular dynamics approach [Medicinal Chemistry Research 21 (2012) 239-244]
Shah Md. Abdur Rauf, Kamlesh Kumar Sahu, Hideyuki Tsuboi, Nozomu Hatakeyama, Akia Endou, Hiromitsu Takaba, Carlos A. Del Carpio, Akira Miyamoto


 

495. Assessment of the Antifouling Properties of Polyzwitterions from Free Energy Calculations by Molecular Dynamics Simulations [Industrial and Engineering Chemistry Research 51 (2012) 4458-4462]
Ryo Nagumo, Kazuki Akamatsu, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Akia Endou, Hiromitsu Takaba, Akira Miyamoto


 

496. Friction Reduction Mechanism of Hydrogen- and Fluorine-Terminated Diamond-Like Carbon Films Investigated by Molecular Dynamics and Quantum Chemical Calculation [Journal of Physical Chemistry C 116 (2012) 12559-12565]
Shandan Bai, Tasuku Onodera, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Momoji Kubo, Akira Miyamoto


 

497. A Theoretical Design of Surface Modifiers for Suppression of Membrane Fouling: Potential of Ply(2-methoxyethylacrylate) [Journal of Chemical Engineering of Japan 45 (2012) 568-570]
Ryo Nagumo, Kazuki Akamatsu, Ryuji Miura, Ai Suzuki, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto


 

498. Molecular dynamics simulations for microscopic behavior of water molecules in the vicinity of zwitterionic self-assembled monolayers [Polymer Journal 44 (2012) 1149-1153]
Ryo Nagumo, Tatsunori Ito, Kazuki Akamatsu, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto


 

499. Evaluation for sintering of electrocatalysts and its effect on voltage drops in high-temperature proton exchange membrane fuel cells (HT-PEMFC) [International Journal of Hydrogen Energy 37 (2012) 18272-18289]
Ai Suzuki, Yuka Ohno, Mark C. Williams, Ryuji Miura, Kenji Inaba, Nozomu Hatakeyama, Hiromitsu Takaba, Michio Hori, Akira Miyamoto


 

500. Quantum Chemical Molecular Dynamics Study of the Water-Gas Shift Reaction on a Pd/MgO(100) Catalyst Surface [Journal of Physical Chemistry C 117 (2013) 5051-5066]
Farouq Ahmed, Ryuji Miura, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto, Dennis R. Salahub


 

501. Antiwear Chemistry of ZDDP: Coupling Classical MD and Tight-Binding Quantum Chmical MD Methods (TB-QCMD) [Tribology Letters 50 (2013) 31-39]
Tasuku Onodera, Jean Michel Martin, Clotilde Minfray, Fabrice Dassenoy, Akira Miyamoto


 

502. Anti-wear Chemistry of ZDDP and Calcium Borate Nano-Additives. Coupling Experiments, Chemical Hardness Predictions and MD Calculations [Tribology Letters 50 (2013) 95-104]
Jean-Michel Martin, Tasuku Onodera, Maria Isable De Barros Bouchet, Nozomu Hatakeyama, Akira Miyamoto


 

503. Development of Three Dimensional Kinetic Monte Carlo (3D-KMC) Grain Growth Simulator Based on Tight Binding Quantum Chemical Molecular Dynamics and Its Application to the Analysis of Thermal Grain Growth of CeO2 and Rh/CeO2 [Journal of Computer Chemistry, Japan 12 (2013) 61-70]
Ai Suzuki, Mark C. Williams, Kenji Inaba, Ryo Sato, Kotaro Okushi, Ryuji Miura, Nozomu Hatakeyama, Akira Miyamoto


 

504. Theoretical Studies on Ethene Formation from Ethyl-Palladium(II) Complexes by Using DFT Method Including Solvent Effects [Journal of Computer Chemistry, Japan 12 (2013) 71-85]
Hiroaki Munakata, Rado Raharintsalama, Akira Miyamoto


 

504. Theoretical Assessment of Emission Efficiency of Eu2+-doped Phosphors Based on Alkaline-Earth Network [Journal of Ceramic Processing Research 14 (2013) s48-s51]
Hiroaki Onuma, Ryo Nagumo, Ryuji Miura, Ai Suzuki, Hideyuki Tsuboi, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto


 

505. Computational Chemistry Study on the Microscopic Interactions between Biomolecules and Hydrophilic Polymeric Materials [Journal of Chemical Engineering of Japan 46 (2013) 421-423]
Ryo Nagumo, Kazuki Akamatsu, Ryuji Miura, Ai Suzuki, Nozomu Hatakeyama, Hiromitsu Takaba, Akira Miyamoto


 

506. Effect of Y220C Mutation on p53 and Its Rescue Mechanism: A Computer Chemistry Approach [Protein Journal 32 (2013) 68-74] Shah Md. Abdur Rauf, Akira Endou, Hiromitsu Takaba, Akira Miyamoto


 

507. Proton-conducting Blend Membranes of Nafion/Poly(Vinylphosphonic Acid) for Prooton Exchange Membrane Fuel Cells [Journal of Polymer Research 20 (2013) 217]
Unal Sen, Oktay Acar, Sevim Unugur Celik, Ayhan Bozkurt, Ali Ata, Takashi Tokumasu, Akira Miyamoto