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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
國立成功大學 2021 First-Principles Study of C-C Coupling Pathways for CO2Electrochemical Reduction Catalyzed by Cu(110) Kuo, T.-C.;Chou, J.-W.;Shen, M.-H.;Hong, Z.-S.;Chao, T.-H.;Lu, Q.;Cheng, M.-J.
國立臺灣大學 2008 First-principles study of crystal structure, electronic structure, and second-harmonic generation in a polar double perovskite Bi2ZnTiO6 Ju, Sheng; Guo, Guang-Yu
國立臺灣大學 2008 First-principles study of crystal, electronic structure and second-harmonic generation in a polar double perovskite Bi2ZnTiO6 Ju, S.; Guo, G.Y.
元智大學 2018-06-03 First-principles study of electric field induced giant perpendicular anisotropic energy of two-dimensional VS2 monolayer Huei-Ru Fuh; Ke-chuan Weng; Yeu-Chung Lin; Tsung-Wei Huang; Horng-Tay Jeng; Chi-Ho Cheung; Ming-Chien Hsu1; Ching-Ray Chang
淡江大學 2007 First-principles study of excitation on transition metal oxides by linear response method 李啟正; Lee, Chi-cheng
臺大學術典藏 2018-09-10T09:22:34Z First-principles study of Ge dangling bonds with different oxygen backbonds at Ge/GeO 2 interface Chang, H.-C.; Lu, S.-C.; Chou, T.-P.; Lin, C.-M.; Liu, C.W.; CHEE-WEE LIU
臺大學術典藏 2018-09-10T09:22:34Z First-principles study of GeO 2/Ge interfacial traps and oxide defects Lu, S.-C. and Chang, H.-C. and Chou, T.-P. and Liu, C.; CHEE-WEE LIU
國立中山大學 2007 First-principles study of indium-stabilized {103} facets in Ge quantum dots F.C. Chuang
淡江大學 1983-02 First-principles study of piezoelectric tensors Shiau, S. M.
國立高雄師範大學 2005 First-principles study of the atomic and electronic structure 任中元; Chung-Yuan Ren;Feng-Chuan Chuang;Shiow-Fon Tsay;C. Z.Wang
國立中山大學 2007 First-principles study of the atomic and electronic structure of the Si(111)-(5 × 2)-Au surface reconstruction C.Y. Ren;S.F. Tsay;F.C. Chuang
國立中山大學 2007 First-principles study of the atomic and electronic structure of the Si(111)-(5×2)-Au surface reconstruction Chung-Yuan Ren;Shiow-Fon Tsay;Feng-Chuan Chuang
淡江大學 1996 First-principles study of the atomistic and electronic structure of the niobium--alumina (0001) interface10.1080/095008396180650 Kruse, C.; Finnis, N. W.; 林志興; Lin, Jyh-shing; Payne, M. C.; Milman, V.; Vita, A. De.; Gillan, M. J.
國立中山大學 2003-11-10 First-principles study of the electronic structure of monoclinic hafnia M.H. Tsai;A. Das;S.K. Dey
臺大學術典藏 2020-01-17T07:47:29Z First-principles study of the optical properties of AA-stacked bilayer graphene Zhang, J.-F.; Chiu, M.-H.; Hsieh, C.-T.; Sheu, T.W.-H.; Li, J.-H.; TONY W. H. SHEU

Showing items 431186-431210 of 2348971  (93959 Page(s) Totally)
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