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序号 标题 作者 起始页 操作
1 Theoretical screening into Ru-doped MoS2 monolayer as a promising gas sensor upon SO2 and SOF2 in SF6 insulation devices Wang, Zengting, Zhang...
2 Adsorption configurations of furan molecule on Si(100)-2x1 surface by X-ray photoelectron spectroscopy and near-edge X-ray absorption fine structure spectra Ji, Huan-Yu, Wang...
3 An investigation of some H2S thermodynamical properties at the water interface under pressurised conditions through molecular dynamics Ofori, Kofi, Phan...
4 Assembly behaviour and thermodynamics of the mixture of cetyltrimethylammonium bromide and bovine serum albumin in aqueous and aqua-ethylene glycol mixed solvents media at several temperatures Hoque, Md. Anamul, Mahbub...
5 Readdressing molecular dissociation within the Kohn-Sham formalism of density-functional theory: simple models and a different point of view Vieira, Daniel
6 Effect of iridium doping on electronic structure and optical properties of m-BiVO4 photocatalytic materials: a first principles study Liu, Jianbo, Liu...
7 Computational mechanistic insights into hafnium catalyzed CO2 activation and reduction Kessete, Jenbrie M., Demissie...
8 Fine tuning of hydrogen bond strength in crystals: a case study of O-H-O hydrogen bond in ammonium substituted potassium dihydrogen phosphate Choudhury, R. R., Chitra...
9 Theoretical probe of absorption and fluorescence emission characteristics of highly luminescent ReL(CO)(3)X (L=12H-indazolo[5,6-f][1,10]phenanthroline and X = F, Cl, Br, I): a DFT/TD-DFT study Olasunkanmi, Lukman O., Govender...
10 The first principle study of structural, mechanical, electronic and optical properties of double halide perovskite K2BI6 (B = Ti, Zr and Hf) Tang, Tian-Yu, Zhao...