Thr 20 August 2020 |
15:25-15:30 Opening Address
Masahiro Ehara (IMS, RCCS)
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15:30-
16:00
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Jia Jia Zheng (Kyoto Univ.)
"Diffusion-Regulated Gas Adsorption into Porous Coordination Polymer: Theoretical Insight"
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16:00-
16:30
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Pei Zhao (IMS, RCCS)
"Selective Catalytic Reduction of NO with NH3 over
Cu-Exchanged CHA, GME, and AFX Zeolites"
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16:30-
17:00
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Ken-ichi Otake (Kyoto Univ.)
"Dynamic Properties of Confined water in a Hydrophobic
Coordination Nanotube"
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Break
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17:10-
17:40
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Shohei Tashiro (Univ. Tokyo)
"Porous Metal-Macrocycle Framework (MMF): Precise Molecular Arrangement and Selective Catalytic Reactions"
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17:40-
18:10
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Masahiro Ehara (IMS, RCCS)
"Theoretical Design of Photofunctional Molecular Aggregates for Optical Properties: An Inverse Design Approach"
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Fri 21 August 2020
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16:00-
16:30
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Naoki Nakatani (Tokyo Metropolitan Univ.)
"TDDFT studies on the XANES spectra of Ti and V complex catalysts"
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16:30-
17:00
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Michiko Atsumi (Univ. Oslo)
"Molecular Single- Double- Bond Covalent Radii For Elements 1-118"
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Break |
17:10-
17:40
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Atsushi Ishikawa (NIMS)
"Multi-scale Theoretical Simulation for the Heterogeneous Catalysis"
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17:40-
18:10
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Erik Tellgren (Univ. Oslo)
"Strong Magnetic Field- Induced Chemical Bonding"
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18:10-18:30 Open discussion for collaboration
Shigeyoshi Sakaki (Kyoto Univ.) Closing
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