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Lab Seminars

+FY 2012

2013/3/28 Thu 20th., Lab Seminar

Sakai Hirofumi

Nonaqueous Liquid Electrolytes for Lithium-Based Rechargeable Batteries Electrochemistry Branch,
Sensor and Electron Devices Directorate, U.S. Army Research Laboratory, Adelphi, Maryland 20783-1197(Chem. Rev. 2004,104,4303-4417)
6.2. Electrolyte/Carbonaceous Anode Interface:SEI

2013/2/28 Thu 19th., Lab Seminar

Shogo Hirao

Determination of Ligand Pathways in Globins (Mallory D. Salter et al. : J.Biol.Chem, 287, 33163-33178 (2012).)

2013/2/22 Fri 18th., Lab Seminar

Suzuki Yuichi

Depth Heterogeneity of Fully Aromatic Polyamide Active Layers in Reverse Osmosis and Nanofiltration Membranes

2013/2/14 Thu 17th., Lab Seminar

Yukichi KITAMURA

pH-Dependent Catalytic Activity and Chemo- selectivity in Transfer Hydrogenation Catalyzed by Iridium Complex with 4,4'-Dihydroxy-2,2'-bipyridine
(Y. Himeda, et al., Chem. Eur. J. 2008, 14, 11076- 11081. DOI:10.1002/chem.200801568)

2013/2/6 Wed 16th., Lab Seminar

Ohta Yusuke

Revisiting the Structure of (LiCH3)n Aggregates Using Car-Parrinello Molecular Dynamics
(Gerard, H.; de la Lande, A.; Maddaluno, J.; Parisel, P.; Tuckerman, M.E., J. Phys. Chem. A 2006, 110, 4787-4794)

2013/1/31 Thu 15th., Lab Seminar

Norio TAKENAKA

Electrochemical interface between an ionic liquid and a model metallic electrode
(S.K. Reed, O.J. Lanning, P.A. Madden, The Journal of Chemical Physics, 126, 084704 (2007).)

2013/1/28 Mon 14th., Lab Seminar

Ikuo KURISAKI

An ensemble view of thrombin allostery

2013/1/17 Thu 13th., Lab Seminar

Monno Yohei

Mechanism of electronic structure and elctronic property changes of boron nitride nanotudes by local flatterning deformation with first principle analysis.

2012/12/20 Thu 12th., Lab Seminar

Takayanagi Masayoshi

Polymer Synthesis in Coordination Nanospaces
Uemura, T. Bulletin of the Chemical Society of Japan 2011, 84, 1169-1177.

2012/12/7 Fri 11th., Lab Seminar

KOYANO Yoshiyuki

Application of Adaptive QM/MM Methods to Molecular Dynamics Simulations of Aqueous Systems
(K. Park et al.) J. Chem. Theory Comput., 8, 2868 (2012).

2012/11/22 Thu 10th., Lab Seminar

Sakai Hirofumi

Theoretical Insight into Oxidative Decomposition of Propylene Carbonate in the Lithium Ion Battery
(Lidan Xing, Chaoyang Wang, Weishan Li, Mengqing Xu, Xuliang Meng, and Shaofei Zhao, 2009 American Chemical Society Published, J. Phys. Chem. B 2009, 113, 5181-5187)

2012/11/16 Fri 9th., Lab Seminar

NOGUCHI Takafumi

Bacterial Chromosomal Loci Move Subdiffusively through a Viscoelastic Cytoplasm
(Stephanie C. Weber, Andrew J. Spakowitz and Julie A. Theriot, Physical Review Letters, 104, 238012 (2010))

2012/10/25 Thu 8th., Lab Seminar

Suzuki Yuichi

Water Desalination across Nanoporous Graphene
(D. Cohen-Tanugi and J. C. Grossman. Nano Letters. 12, 3602?3608, 2012)

2012/10/18 Thu 7th., Lab Seminar

KITAMURA Yukichi

A Low-Barrier Hydrogen Bond in the Catalytic Triad of Serine Proteases
(Perry A. Frey, Sean A. Whitt, John B. Tobin, Science, 1994, 264, 1927.)

2012/10/11 Thu 6th., Lab Seminar

Ohta Yusuke

Metalation of Pyridines with nBuLi-Li-Aminoalkoxide Mixed Aggregates: The Origin of Chemoselectivity Khartabil
(H.K.; Gros, P.C.; Fort, Y.; Ruiz-Lopez, M.F., J. Am. Chem. Soc., 2010, 132, 2410.)

2012/07/27 Fri 5th., Lab Seminar

Norio Takenaka

Simple and exact approach to the electronic polarization effect on the solvation free energy:
Formulation for quantum-mechanical/ molecular-mechanical system and its application to aqueous solution
(Journal of Chemical Physics, 136, 214503 (2012))

2012/07/20 Fri 4th., Lab Seminar

Kurisaki Ikuo

"How to characterize the allostery?"

Quantifying Correlations Between Allosteric Sites in Thermodynamic ensemble,
McClendon CL, Friedland G, Mobley D, Amirkhani H, Jacobson MP,
Journal of Chemical Theory and Computation, 5, (2009) 2486.

2012/06/22 Fri 3rd., Lab Seminar

Masayoshi Takayanagi

Direct Observation of Cooperative Protein Structural Dynamics of Homodimeric Hemoglobin from 100 ps to 10 ms with Pump-Probe X-ray Solution Scattering
Kyung Hwan Kim, Srinivasan Muniyappan, Key Young Oang, Jong Goo Kim, Shunsuke Nozawa, Tokushi Sato, Shin-ya Koshihara, Robert Henning, Irina Kosheleva, Hosung Ki, Youngmin Kim, Tae Wu Kim, Jeongho Kim, Shin-ichi Adachi, and Hyotcherl Ihee,
Journal of the American Chemical Society, 134 (2012) 7001.

2012/06/15 Fri 2nd., Lab Seminar

Yoshiyuki Koyano

Effect of Electrolytes on the Structure and Evolution of the Solid Electrolyte Interphase
S-P Kim, A.C.T.van Duin, V. B. Shenoy,
Journal of Power Source 196, 8590 (2011).

2012/06/08 Fri 1st., Lab Seminar

Takuya Okamoto

Parameter optimization in molecular dynamics simulations using a genetic algorithm
L. Angibauda, L. Briqueta, P. Philippa, T. Wirtza, J. Kiefferb,
Nuclear Instruments and Methods in Physics Research Section B, 269 (2011) 1559.

>> FY 2011