46 citations · 85 across the 4 of their papers we have counts for
4 papers
Ab initio Investigation of Adsorption Characteristics of Bisphosphonates on Hydroxyapatite (001) Surface
Mun-Hyok Ri, Yong-Man Jang, Chol-Jun Yu +1
The structures of some bisphosphonates (clodronate, etidronate, pamidronate, alendronate, risedronate, zoledronate, minodronate) were obtained and analyzed, and their adsorption en…
First-principles study of ternary graphite compounds cointercalated with alkali atoms (Li, Na, and K) and alkylamines towards alkali ion battery applications
Gum-Chol Ri, Chol-Jun Yu, Jin-Song Kim +3
Using density functional theory calculations, we have investigated the structural, energetic, and electronic properties of ternary graphite intercalation compounds (GICs) containin…
Electronic structure and photo absorption property of pseudo-cubic perovskites CHNHPbX (X=I, Br) including van der Waals interaction
Chol-Jun Yu, Un-Gi Jong, Mun-Hyok Ri +1
Using density functional theory with the inclusion of van der Waals (vdW) interaction, we have investigated electronic energy bands, density of states, effective masses of charge c…
Ab initio investigation of the adsorption of zoledronic acid molecule on hydroxyapatite (001) surface: an atomistic insight of bone protection
Mun-Hyok Ri, Chol-Jun Yu, Yong-Man Jang +1
We report a computational study of the adsorption of zoledronic acid molecule on hydroxyapatite (001) surface within ab initio density functional theory. The systematic study has b…