SCEJ 82nd Annual Meeting (Tokyo, 2017)
Last modified: 2017-02-20 10:00:00
Program search result : 計算 : 6 programs
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Title (J) field includes “計算”; 6 programs are found.
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| Time | Paper ID | Title / Authors | Keywords | Topic code | Ack. number |
|---|---|---|---|---|---|
| Day 1 | PA107 | Accurate Computing of Dielectric Constant and Viscosity by a Combination of QM and MD Calculations | viscosity dielectric constant quantum mechanics and molecular dynamics | 6-f | 687 |
| Day 2 | N204 | Relationship between Macroscopic Diffusivities and Microscopic Residence Times for CO2 Physical Absorbents: Computational Chemistry Study | CO2 diffusivity molecular dynamics residence time | 4-a | 449 |
| Day 3 | PD332 | Computational chemistry study on the phase transition behaviors of pH-responsive materials | LCST molecular dynamics pH-responsive | 4-a | 439 |
| Day 3 | D308 | Calculation of coordination number by molecular dynamics simulation and application to CDSAP model | coordination number molecular simulation activity coefficient model | 1-a | 218 |
| Day 3 | PE301 | Modification of surface area parameters in CDSAP model and calculation of phase equilibria | phase equilibrium activity coefficient model coordination number | 1-a | 147 |
| Day 3 | X308 | Large Scale Computer Experiments of MAXBLEND Mixing Vessel by Renormalization Molecular Dynamics Method | Renormalization Molecular Dynamics MixingVessel MAXBLEND | HQ-21 | 70 |
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SCEJ 82nd Annual Meeting (Tokyo, 2017)
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