期刊論文

學年期 標題 更新時間
096 / 1 DFT study of selective α-fluoride elimination of adsorbed CF3(ads) on both Ag(111) and Cu(111) surfaces 2017/01/05
093 / 1 DFT study of surface reactivity of CX3I (XH and F) with CH2I2 to form CH2CX2 on the Ag(111) surface 2013/11/22
092 / 2 DFT study of the formation of CH2=CF2 through both methylene insertion and b-fluoride elimination on the Ag(111) surface 2017/01/05
092 / 1 Density functional study of gas–surface reactivity: GeH4 dissociative adsorption onto semiconductor surfaces 2017/01/04
088 / 2 Density functional study of silane adsorption onto Si(100) surface 2017/01/04
092 / 1 Density functonal study of XH4 (X =Si and Ge) ractivity upon dissociative adsorption onto Si(100) surface 2013/11/22
081 / 1 Mg2C1-支持的Ziegler-Natta 非均相觸媒的電腦擬研究 2010/06/16
084 / 1 First-principles study of the atomistic and electronic structure of the niobium--alumina (0001) interface10.1080/095008396180650 2017/01/11
081 / 1 氫原子在銅(III)平面上的化學吸附與振動 2010/06/16
082 / 1 石英中(OH)4缺陷的理論器計算 2010/06/16
083 / 1 石英中(OH)4缺陷的溶解度與加熱所引起水形成和使石英變弱的現象 2010/06/16
092 / 2 The dependence of dynamic variables on gas-surface reactivity during direct dissociative adsorption of GeH4 onto Ge(0 0 1) surface 2017/04/25
087 / 2 Trace measurement of dithiocarbamate based pesticide by adsorptive stripping voltammetry 2017/05/04
094 / 2 Sorption Kinetics of Toluene in Humic Acid: A Computational Approach 2012/04/27
083 / 1 多晶的B2O3的擬勢總能量計算 2011/10/15
083 / 1 Mg2Cl-支持的Ziegler-Natta非均相觸煤的量子力學 2011/10/15
094 / 2 Molecular Dynamics Simulations of the Sorption of Toluene in A Dry Humic Acid Model: A Preliminary Study 2013/12/02
088 / 1 Density functional study of structural and electronic properties of silane adsorbed Si(100) surface 2017/01/04
095 / 1 Density Functional Study of the Interfacial Electron Transfer Pathway for Monolayer-Adsorbed InN on the TiO2 Anatase (101) Surface 2017/01/04
096 / 1 DFT Study of selective alpha-Fluoride Elimination of adsorbed CF3(ads) on both Ag(111) and Cu(111) surfaces 2013/11/29
099 / 1 DFT study of self-coupling reaction of CF2 coadsorbed on Cu(111) surface for forming CF2=CF2 2014/12/11
100 / 2 Temperature dependence of vibrational modes of CH3-C≡C(ads) and I(ads) coadsorbed on Ag(111): Ab initio molecular dynamics approach 2013/05/02
089 / 1 Structural Properties of Lanthanide and Actinide Compounds within the Plane Wave Pseudopotential Approach 2014/11/12
081 / 2 Free energy and entropy of diffusion by ab initio molecular dynamics: Alkali ions in silicon 2014/11/12
081 / 2 Optimized and transferable nonlocal separable ab initio pseudopotentials 2014/11/26
091 / 2 Density functional study of the effect of SiH4/GeH4 and Si(001)/Ge(001) on gas-surface reactivity during Initial dissociative adsorption 2017/01/04
089 / 1 Total Energy Calculations for Silane Dissociative Chemisorption onto Si(100) and Si(111) Surfaces 2017/05/04
102 / 1 Ab Initio Molecular Dynamics Study of Ethylene Adsorption onto Si(001) Surface: Short-time Fourier Transform Analysis of Structural Coordinate Autocorrelation Function 2015/03/12
102 / 1 Temperature effects on adsorption and diffusion dynamics of CH3CH2(ads) and H3C–C≡C(ads) on Ag(111) surface and their self-coupling reactions: Ab initio molecular dynamics approach 2016/11/14
102 / 2 Simulated SERS spectra of 4,4′-bipyridine/gold single molecule junction in different conductance states: ab initio molecular dynamics approach 2017/09/04
102 / 1 Chemical mechanism of surface-enhanced Raman scattering spectrum of pyridine adsorbed on Ag cluster: Ab initio molecular dynamics approach 2015/03/12
103 / 2 A nano Ag-5 cluster tip probing the vertical transfer of CO(ads) adsorbed on Ag(110) with simulated inelastic electron tunneling spectroscopy 2016/11/14
104 / 1 A novel theoretical study of thermally-induced reaction and vibration dynamics of methanol dissociative adsorption onto a Si(001) surface 2017/09/04
105 / 2 Ab initio molecular dynamics study for C–Br dissociation within BrH2C–C≡C(ads) adsorbed on an Ag(111) surface: a short-time Fourier transform approach 2017/10/24
092 / 1 Facile one-step synthesis of a thia-bridged bis-1,10-phenanthroline macrocycle 2016/06/27
091 / 1 Molecular Dynamics Simulations of the Sorption of Toluene in humic acid 2016/06/27
107 / 1 Simulating surface reaction dynamics 2019/03/08