IVC-22

Presentation information

Print

Poster Session

Poster Session (17:30-19:00)

[Mon-PO1C] Poster Session (17:30-19:00) Category C

Mon. Sep 12, 2022 5:30 PM - 7:00 PM Poster C (Main Hall)

[Mon-PO1C-29] DFT Estimations of Partial Atomic Charges for Metal Oxides: Bulks, Surfaces, and Clusters

*Yukihiro Shimoi1, Toshiaki Miura1 (1. AIST (Japan))

Keywords:partial atomic charge, alumina, DFT calculations, surface reconstruction

Please log in with your participant account.
» Participant Log In