| 096 / 1 |
Sorption Kinetic of Toluene in Humic Acid: A Computational Approach
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2011-06-09 |
| 097 / 1 |
Density Functional Study of the Interfacial Electron Transfer Pathway for Monolayer-adsorbed InN on the TiO2 Anatase(101) Surface
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2011-06-09 |
| 096 / 1 |
Molecular dynamic simulations of the sorption of toluene in a dry humic acid model: A preliminary study
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2011-06-09 |
| 098 / 1 |
DFT study of selective a-fluoride elimination of adsorbed CF3(ads) on both Ag(111) and Cu(111) surfaces
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2011-06-09 |
| 090 / 1 |
Silane吸附在Si（100）表面的密度汎涵研究
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2011-06-09 |
| 094 / 1 |
DFT study of the formation of CH2=CF2 through both methylene insertion and β-fluoride elimination on the Ag(111) surface
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2011-06-09 |
| 093 / 1 |
Density Functional Study of XH4(X=Si and Ge) Reactivity upon Dissociative Adsorption Onto the Si(100) Surface
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2011-06-09 |
| 088 / 1 |
Density Functional Study of Structural and Electronic Properties of Silaue Absorbed Si(100) Surface
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2011-06-09 |
| 093 / 1 |
Density functional study of gas-surface reactivity：GeH4 dissociative adsorption onto semiconductor surfaces
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2011-06-09 |
| 089 / 1 |
Total energy calculations for silane dissociative chemisorption onto Si（100）and Si（111）surfaces
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2011-06-09 |
| 095 / 1 |
DFT Study of Surfaces Reactivity of CX3I (X=H and F) with CH2I2 to Form CH2=CX2 on the Ag(111) surface
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2011-06-09 |
| 093 / 1 |
Density Functional study of the Effect of SiH4/GeH4 and Si(001)/Ge(001) on Gas-Surface Reactivity during Initial Dissociative Adsorption
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2011-06-09 |
| 094 / 1 |
The dependence of dynamic variables on gas-surface reactivity during direct dissociative adsorption of GeH4 onto Ge(001) surface
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2011-06-09 |
| 100 / 1 |
DFT study of self-coupling reaction of CF2(ads) coadsorbed on Cu(111) surface for forming CF2=CF2(g)
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2012-10-23 |
| 101 / 1 |
Temperature Dependence of Vibrational Modes of CH3-C≡C(ads) and I(ads) Coadsorbed on Ag(111): Ab Initio Molecular Dynamics Approach
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2013-05-15 |
| 103 / 1 |
Chemical mechanism of surface-enhanced Raman scattering spectrum of pyridine adsorbed on Ag cluster: Ab initio molecular dynamics approach
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2015-03-13 |
| 103 / 1 |
Simulated SERS spectra of 4,4′-bipyridine/gold single molecule junction in different conductance states: ab initio molecular dynamics approach
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2015-03-13 |
| 103 / 1 |
Ab Initio Molecular Dynamics Study of Ethylene Adsorption onto Si(001) Surface: Short-time Fourier Transform Analysis of Structural Coordinate Autocorrelation Function
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2015-03-13 |
| 105 / 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
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2017-05-18 |
| 105 / 1 |
A nano Ag-5 cluster tip probing the vertical transfer of CO(ads) adsorbed on Ag(110) with simulated inelastic electron tunneling spectroscopy
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2017-05-18 |
| 106 / 1 |
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
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2018-07-26 |
| 106 / 1 |
A novel theoretical study of thermally-induced reaction and vibration dynamics of methanol dissociative adsorption onto a Si(001) surface
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2018-07-26 |