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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
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