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Institution	Date	Title	Author
國立臺灣大學	2009-03	First-Principles Predictions of Vapor-Liquid Equilibria for Pure and Mixture Fluids from the Combined Use of Cubic Equations of State and Solvation Calculations	Hsieh, CM; Lin, ST
國立成功大學	2022-11-9	First-principles simulation insights of electronic and optical properties: Li6PS5Cl system	Han;Thi, Nguyen;Bang-Li;Wei;Lin;Kuang-I;Dien;Khuong, Vo;Lin;Ming-Fa
國立成功大學	2022-08-20	First-principles simulation of neutral and charged oxygen vacancies in m-ZrO2: an origin of filamentary type resistive switching	Chaurasiya;Rajneesh;Lin;Pei-En;Lyu;Cheng-Han;Chen;Kuan-Ting;Shih;Li-Chung;Chen;Jen-Sue
淡江大學	2014-11-14	First-Principles Studies in Fe-Based Superconductors	Ku, Wei;Berlijn, Tom;Wang, Limin;Lee, Chi-Cheng
國立成功大學	2020-06-28	First-principles studies of electronic properties in lithium metasilicate (Li2SiO3)	Han, Nguyen Thi;Dien, Vo Khuong;Tran, Ngoc Thanh Thuy;Nguyen, Duy Khanh;Su;Wu-Pei;Lin;Ming-Fa
國立臺灣大學	2004	First-principles studies of the electronic structure and magnetism in fayalites: M2SiO4 (M=Fe and Co)	Jiang, Xuefan; Guo, G. Y.
臺大學術典藏	2019-12-20T01:18:16Z	First-principles studies of the electronic structure and magnetism in fayalites: M2SiO4 (M=Fe and Co)	Jiang, X.;Guo, G.Y.; Jiang, X.; Guo, G.Y.; GUANG-YU GUO
元智大學	Mar-20	First-Principles Study for Gas Sensing of Defective SnSe2 Monolayers	Wei-Ying Cheng; Huei-Ru Fuh; Ching-Ray Chang
淡江大學	1996-11	First-principles study of a tilt grain-boundary in rutile	Dawson, I.; Bristowe, P. D.; Lee, M.-H.; Payne, M. C.; Segall, M. D.; White, J. A.
國立成功大學	2021-02-4	First-Principles Study of C-C Coupling Pathways for CO2 Electrochemical Reduction Catalyzed by Cu(110)	Kuo;Tung-Chun;Chou;Jia-Wei;Shen;Min-Hsiu;Hong;Zih-Siang;Chao;Tzu-Hsuan;Lu;Qi;Cheng;Mu-Jeng

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