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Density functional theory in classical explicit solvents: Mean‐field QM/MM method for simulating solid–liquid interfaces.

Autor: Jang, Taehwan¹ (AUTHOR), Paik, Dooam¹ (AUTHOR), Shin, Seung‐Jae¹ (AUTHOR), Kim, Hyungjun¹ (AUTHOR) linus16@kaist.ac.kr

Publikováno v: Bulletin of the Korean Chemical Society. Apr2022, Vol. 43 Issue 4, p476-483. 8p.

Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.

Density functional theory in classical explicit solvents: Mean‐field QM/MMmethod for simulating solid–liquid interfaces

Autor: Jang, Taehwan, Paik, Dooam, Shin, Seung‐Jae, Kim, Hyungjun

Publikováno v: Bulletin of the Korean Chemical Society; April 2022, Vol. 43 Issue: 4 p476-483, 8p

Surface Optimization of Noble-Metal-Free Conductive [Mn 1/4 Co 1/2 Ni 1/4 ]O 2 Nanosheets for Boosting Their Efficacy as Hybridization Matrices.

Autor: Kwon NH; Department of Materials Science and Engineering, College of Engineering, Yonsei University, Seoul, 03722, Republic of Korea., Kim SJ; Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 34141, Republic of Korea., Gu TH; Department of Chemistry and Nanoscience, College of Natural Science, Ewha Womans University, Seoul, 03760, Republic of Korea., Lee JM; Centre for Advanced Materials and Industrial Chemistry (CAMIC), School of Science, Royal Melbourne Institute of Technology (RMIT) University, Melbourne, VIC, 3001, Australia., Kim MH; Department of Chemistry and Nanoscience, College of Natural Science, Ewha Womans University, Seoul, 03760, Republic of Korea., Paik D; Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 34141, Republic of Korea., Jin X; Department of Applied Chemistry, College of Natural Science, University of Seoul, Seoul, 02504, Republic of Korea., Kim H; Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 34141, Republic of Korea., Hwang SJ; Department of Materials Science and Engineering, College of Engineering, Yonsei University, Seoul, 03722, Republic of Korea.; Department of Battery Engineering, Yonsei University, Seoul, 03722, Republic of Korea.

Publikováno v: Advanced science (Weinheim, Baden-Wurttemberg, Germany) [Adv Sci (Weinh)] 2024 Nov; Vol. 11 (44), pp. e2408948. Date of Electronic Publication: 2024 Oct 04.