Academic Program [Oral B]

02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry » Oral B

[K202-3vn] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Fri. Mar 24, 2023 4:10 PM - 6:50 PM K202 (K202, Lecture Hall Bldg. [2F])

Chair: Kenji Sugisaki, Mitutaka Okumura

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4:10 PM - 4:30 PM

[K202-3vn-01] Theoretical study of the solvent fluctuation affecting the linear optical process in solution

^○Naoki Negishi¹, Daisuke Yokogawa¹ (1. Graduate school of Arts and Sciences, The University of Tokyo)

[Lang.] Japanese

4:30 PM - 4:50 PM

[K202-3vn-02] Relativistic DFT Calculations for Concentration Changes in Heavy-Element Chemical Shifts

^○Yoshimitsu Asakura¹, Daisuke Kuwahara¹, Naoya Nakagawa¹ (1. The University of Electro-Communications)

[Lang.] Japanese

4:50 PM - 5:10 PM

[K202-3vn-03] Computational Exploration for High Density Thermal Storage Materials based on Thermal Management Materials Database (PropertiesDB Web)

^○Toyokazu ISHIDA^1,2, Yukiko Suda², Kazuya Ishimura³ (1. National Institute of Advanced Industrial Science and Technology (AIST), 2. Thermal Management Materials and Technology Research Association (TherMAT), 3. X-Ability)

[Lang.] Japanese

Session information

[K202-3vn] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[K202-3vn-01] Theoretical study of the solvent fluctuation affecting the linear optical process in solution

[K202-3vn-02] Relativistic DFT Calculations for Concentration Changes in Heavy-Element Chemical Shifts

[K202-3vn-03] Computational Exploration for High Density Thermal Storage Materials based on Thermal Management Materials Database (PropertiesDB Web)

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