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Institution Date Title Author
淡江大學 2008-02 First-principles analysis of the optical properties of structural disorder in SiO2 glass Tamura, Tomoyuki; Ishibashi, Shoji; Tanaka, Shingo; Kohyama, Masanori; Lee, Ming-Hsien
國立臺灣大學 2002 First-principles and experimental studies of the electronic structures and magnetism in Ni3Al, Ni3Ga and Ni3In Guo, G. Y.; Wang, Y. K.; Hsu, Li-Shing
國立中山大學 2003 First-principles and x-ray absorption studies of the electronic structures of the Ba1-xSrxTiO3 alloys Y.H. Tang;M.H. Tsai;J.C. Jan;W.F. Pong
國立彰化師範大學 2005-11 First-principles Calculation for Bowing Parameter of Wurtzite AlxGa1-xN Liou, B. T. ; Yen, S. H. ; Kuo, Yen-Kuang
修平科技大學 2005-05 First-principles calculation for bowing parameter of wurtzite InxGa1-xN Bo-Ting Liou;Cheng-Yang Lin;Sheng-Horng Yen;Yen-Kuang Kuo
國立彰化師範大學 2005-05 First-principles Calculation for Bowing Parameter of Wurtzite InxGa1-xN Liou, Bo-Ting; Lin, Cheng-Yang; Yen, Sheng-Horng; Kuo, Yen-Kuang
國立中山大學 2005 First-principles calculation of prevailing faces of alpha-PbO2-type TiO2 M.Y. Kuo; H.C. Yang; C.Y. Hua; P.Y. Shen; C.L. Chen
臺大學術典藏 2022-01-03T08:01:11Z First-principles calculations by GLLB-SC and PBE for bulk and atomic layer of gold In-Bai Lin; Ting-Fu Lai; Tony Wen-Hann Sheu;  ;  Jia-Han Li*; JIA-HAN LI
國立中山大學 2009 First-principles calculations of elastic properties of Cu3Sn and Cu6Sn5 intermetallics J. Chen;Y.S. Lai;P.F. Yang
國立交通大學 2019-04-03T06:39:37Z First-principles calculations of engineered surface spin structures Lin, Chiung-Yuan; Jones, B. A.
臺大學術典藏 2020-04-01T07:44:17Z First-principles calculations of hydrogen generation due to water splitting on polar GaN surfaces Hayashi, M.;Sun, C. L.;Chen, P. T.; Chen, P. T.; Sun, C. L.; Hayashi, M.
國立高雄師範大學 2006 First-principles calculations of the electronic band structure of In4Sn3O12 and In5SbSnO12 任中元; Chung-Yuan Ren;S. H. Chiou;J. Choisnet
國立交通大學 2015-12-02T03:00:53Z First-principles Calculations on the Schottky Barrier Height of the NiGe/n-type Ge Contact with Dopant Segregation Lin, Han-Chi; Lin, Chiung-Yuan; Shih, Che-Ju; Tsui, Bing-Yue
國立成功大學 2021-06-25 First-Principles Calculations Predict Tunable Large Magnetic Anisotropy Due to Spin-Polarized Quantum-Well Resonances in Nanometer-Thick SrRuO3 Films: Implications for Spintronic Devices Huang;Angus;Jeng;Horng-Tay;Chang;Ching-Hao
國立成功大學 2021 First-Principles Calculations Predict Tunable Large Magnetic Anisotropy Due to Spin-Polarized Quantum-Well Resonances in Nanometer-Thick SrRuO3Films: Implications for Spintronic Devices Huang, A.;Jeng, H.-T.;Chang, Chang C.-H.
國立成功大學 2021-06-25 First-Principles Calculations Predict Tunable Large Magnetic Anisotropy Due to Spin-Polarized Quantum-Well Resonances in Nanometer-Thick SrRuO3Films: Implications for Spintronic Devices 張景皓; Chang, Ching-Hao; Huag, Angus;Jeng, Horng-Tay
中國文化大學 2016-11-17 First-Principles Design of Iron-Based Active Catalysts for Adsorption and Dehydrogenation of H2O Molecule on Fe(111), W@Fe(111), and W-2@Fe(111) Surfaces Hsiao, MK (Hsiao, Ming-Kai); Hsieh, YC (Hsieh, Yi-Chun); Chen, HL (Chen, Hui-Lung)
國立成功大學 2021-02-15 First-Principles Evaluation of One-Dimensional Metal-Organic Frameworks for Electrocatalytic C-H Activation of Natural Gas Shen;Min-Hsiu;Chao;Tzu-Hsuan;Tang;Yu-Tzu;Cheng;Mu-Jeng
國立成功大學 2021 First-Principles Evaluation of One-Dimensional Metal-Organic Frameworks for Electrocatalytic C−H Activation of Natural Gas Shen, M.-H.;Chao, T.-H.;Tang, Y.-T.;Cheng, M.-J.
淡江大學 2020-08-11 First-Principles High-Throughput Screening Pipeline for Nonlinear Optical Materials: Application to Borates Zhang, Bingbing;Zhang, Xiaodong;Yu, Jin;Wang, Ying;Wu, Kui;Lee, Ming-Hsien
中國文化大學 2024-05-10 First-Principles Insight into the Mechanistic Study of Electrochemical Cyanide Reduction Reaction on Post-Transition Metal Based Single-Atom Catalysts Anchored by Phthalocyanine Nanosheets Chiu, Kuang-Yen; Fan, Chen-Hao; Hsu, Chih-Wei; Chen, Hui-Lung
中國文化大學 2024-11-25 First-Principles Insights into Electrochemical Methanol Oxidation on Boron-Doped Nickel Clusters Supported by Graphene under Alkaline Conditions Lee, Zhao-Zhen; Wu, Shiuan-Yau
中國文化大學 2024 First-Principles Insights into Electrochemical Methanol Oxidation on Boron-Doped Nickel Clusters Supported by Graphene under Alkaline Conditions Lee, Zhao-Zhen; Wu, Shiuan-Yau
臺大學術典藏 2019-12-20T01:18:18Z First-principles investigations of the electronic structure and magnetocrystalline anisotropy in strained magnetite (formula presented) Jeng, H.-T.;Guo, G.Y.; Jeng, H.-T.; Guo, G.Y.; GUANG-YU GUO
國立高雄師範大學 2005 First-principles investigations of the electronic structure and magnetocrystalline anisotropy in strained X3Fe (X=Al,Ge,Si) 任中元; Chung-Yuan Ren;H. H. Horng
國立臺灣大學 2002 First-principles investigations of the magnetocrystalline anisotropy in strained Co-substituted magnetite (CoFe2O4) Jeng, Horng-Tay; Guo, G. Y.
國立臺灣大學 1999 First-principles investigations of the magnetocrystalline anisotropy in strained fcc Co Guo, G. Y.; Roberts, D. J.; Gehring, G. A.
臺大學術典藏 2019-12-20T01:18:18Z First-principles investigations of the magnetocrystalline anisotropy in strained fcc co Guo, G.Y.;Gehring, G.A.; Guo, G.Y.; Gehring, G.A.; GUANG-YU GUO
國立臺灣大學 2002 First-principles investigations of the magnetocrystalline anisotropy in strained Ni-substituted magnetite (NiFe2O4) Jeng, Horng-Tay; Guo, G. Y.
國立臺灣大學 2002 First-principles investigations of the orbital magnetic moments in CrO2 Jeng, Horng-Tay; Guo, G. Y.
淡江大學 2014-06-25 First-principles materials applications and design of nonlinear optical crystals Lin, Zheshuai; Jiang, Xingxing; Kang, Lei; Gong, Pifu; Luo, Siyang; Lee, Ming-Hsien
淡江大學 2013-10-08 First-Principles Method of Propagation of Tightly Bound Excitons: Verifying the Exciton Band Structure of LiF with Inelastic x-Ray Scattering Lee, Chi-Cheng; Chen, Xiaoqian M.; Gan, Yu; Yeh, Chen-Lin; Hsueh, Hung-Chung; Peter Abbamomte; Ku, ei
淡江大學 2013-10-08 First-Principles Method of Propagation of Tightly Bound Excitons: Verifying the Exciton Band Structure of LiF with Inelastic x-Ray Scattering Chi-Cheng Lee, Xiaoqian M. Chen, Yu Gan, Chen-Lin Yeh, H. C. Hsueh, Peter Abbamonte, and Wei Ku
國立中山大學 2002 First-principles molecular-dynamics simulations of the sticking of Ga and N gas-phase atoms on wurtzite GaN surfaces M.H. Tsai
國立中山大學 2001-09-05 First-principles molecular-dynamics simulations of the sticking of Ga and N gas-phase atoms on wurtzite GaN surfaces M.H. Tsai
臺大學術典藏 2018-09-10T09:17:45Z First-principles prediction of phase equilibria using the PR + COSMOSAC equation of state Hsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN
臺大學術典藏 2018-09-10T08:35:40Z First-principles prediction of vapor-liquid-liquid equilibrium from the PR+COSMOSAC equation of state Hsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN
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
臺大學術典藏 2018-09-10T07:28:28Z 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, C.-M.; Lin, S.-T.; SHIANG-TAI LIN
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

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