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臺灣學術機構典藏系統 (Taiwan Academic Institutional Repository, TAIR)
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Institution Date Title Author
嘉南藥理大學 2015-12 DFT and TD-DFT study on structures, related energies, frontier molecular orbitals and UV-Vis spectra of [M(Tp)(PPh3)(Cl)(L)] (M = Ru and Fe; L = C3H4N2 and C13H11N) Wang, Tsang-Hsiu; Hsiao, Ching-Hsiang; Chen, Shih-Hsiung; Cheng, Yi-Tung; Chen, Li-Yun
國立彰化師範大學 1998-03 DFT Applications Hu, Ching-Han; Chong, D. P.
臺大學術典藏 2018-09-10T04:55:46Z DFT based transceivers with windowing Lin, Y.-P.; Phoong, S.-M.; SEE-MAY PHOONG
國立交通大學 2014-12-08T15:25:43Z DFT based transceivers with-windowing Lin, YP; Phoong, SM
國立臺灣大學 2008 DFT calculations on manganese (III) 5, 10, 15-tris (pentafluorophenyl)-corrole Liu, H.Y.; Li, L; Ying, X.; Wang, X. L.; Xu, Z. G.; Liao, S. J.; Chang, C. K.
國立臺灣科技大學 2013 DFT for supply current testing to detect open defects at interconnects in 3D ICs Suenaga, S.;Hashizume, M.;Yotsuyanagi, H.;Lu, S.-K.;Roth, Z.
淡江大學 2018-07 DFT plus U study on the electronic structures and optical properties of pyrite and marcasite Yuqiong Li, Jianhua Chen*, Ye Chen, Cuihua Zhao, Ming-Hsien Lee, Tse-Hsing Lin
國立臺灣科技大學 2019 DFT study of adsorption of ions on doped and defective graphene Shanmugam, Shanmugam S.;Nachimuthu, S.;Subramaniam, V.
國立臺灣科技大學 2018 DFT Study of Hydrogen Storage on B,N Co-doped Graphene Surface Decorated by Metal Atoms: Effects of External Electric Field 張耀瑞
國立臺灣科技大學 2009 DFT Study of NHx (x=1-3) Adsorption on RuO2(110) Surfaces Wang, C.C.;Yang, Y.J.;Jiang, J.C.
淡江大學 2008-01-24 DFT Study of selective alpha-Fluoride Elimination of adsorbed CF3(ads) on both Ag(111) and Cu(111) surfaces 林志興
淡江大學 2008-01 DFT study of selective α-fluoride elimination of adsorbed CF3(ads) on both Ag(111) and Cu(111) surfaces 林志興; Lin, Jyh-shing; Chou, Wen-chi
淡江大學 2011-01 DFT study of self-coupling reaction of CF2 coadsorbed on Cu(111) surface for forming CF2=CF2 Lin, Jyh-Shing; Lu, Shao-Yu; Chou, Wen-Chi
淡江大學 2004-11 DFT study of Surface Reactivity of CX3I (X=H and I) with CH2I2 to Form CH2=CX2 on the Ag)111) surface 林志興
淡江大學 2005 DFT study of surface reactivity of CX3I (XH and F) with CH2I2 to form CH2CX2 on the Ag(111) surface Lin, Jyh-shing; Chou, Wen-Chi
淡江大學 2005-02 DFT Study of Surface Reactivity of CX3I(X=H and F) with CH2I2 to form CH2=CX2 on the-Ag(III) surface 林志興
淡江大學 2004-04 DFT study of the formation of CH2=CF2 through both methylene insertion and b-fluoride elimination on the Ag(111) surface 林志興; Lin, Jyh-shing; Chou, Wen-Chi
淡江大學 2004-02 DFT Study of the Formation of CH2=CF2 through the Fischer-Tropsch process on Ag(111) Surface 林志興
淡江大學 2003-11 DFT study of the Formation of CH2=CF2 through the Fischer-Tropsch process on Ag(111) surface 林志興
國立臺灣科技大學 2006 DFT study on dissociative adsorption of SiH4 and GeH4 on SiGe(1 0 0)-2 ? 1 surface Cheng, C.-L.;Tsai, D.-S.;Jiang, J.-C.
國立臺灣科技大學 2006 DFT study on dissociative adsorption of SiH4 and GeH4 on SiGe(100)-2 x 1 surface Cheng, C.L.;Tsai, D.S.;Jiang, J.C.
國立臺灣科技大學 2017 DFT study reveals geometric and electronic synergisms of palladium-mercury alloy catalyst used for hydrogen peroxide formation Nugraha, M.;Tsai, M.-C.;Rick, J.;Su, W.-N.;Chou, H.-L.;Hwang, B.J.
國立臺灣科技大學 2013 DFT+U calculations and XAS study: Further confirmation of the presence of CoO5 square-based pyramids with IS-Co3+ in Li-overstoichiometric LiCoO2 Carlier D., Cheng J.-H., Pan C.-J., Menetrier M., Delmas C., Hwang B.-J.
國立成功大學 2017 DFT, QTAIM, and NBO studies on the trimeric interactions in the protrusion domain of a piscine betanodavirus Astani, E.K.;Chen, N.-C.;Huang, Y.-C.;Bahrami, A.;Chen, L.-Y.;Lin, P.-R.;Guan, H.-H.;Lin, C.-C.;Chuankhayan, P.;Hadipour, N.L.;Chen, Chen C.-J.
淡江大學 201109 DFT-Based Comparative Study about the Influence of Fluorine and Hydroxyl Anions on Opto-Electric Properties of Borate Crystals_ Choice for Better Anion Bashir, Beenish;Zhang, Bingbing;Lee, Ming-Hsien;Pan, Shilie;Yang, Zhihua

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