"dft study" trang 2 - tải miễn phí từ tailieunhanh
Substituent effects on the antioxidant capacity of monosubstituted diphenylamines: a DFT study

Substituent effects on the antioxidant capacity of monosubstituted diphenylamines: a DFT study
10    45    1
First principles study on electronic and optical properties of quinary copper-based sulfides and selenides Cu2HgGe(S1-xSex)4

First principles study on electronic and optical properties of quinary copper-based sulfides and selenides Cu2HgGe(S1-xSex)4
9    54    1
Comparative density functional study of antioxidative activity of the hydroxybenzoic acids and their anions

Comparative density functional study of antioxidative activity of the hydroxybenzoic acids and their anions
11    39    3
Zinc doped silicene nanoribbons in the electric field: A DFT study

Zinc doped silicene nanoribbons in the electric field: A DFT study
10    37    1
A DFT study of the adsorption of F atoms on germanene nanoribbons

A DFT study of the adsorption of F atoms on germanene nanoribbons
12    29    1
Characteristic physical properties of B-doped germanene nanoribbons: A DFT study

Characteristic physical properties of B-doped germanene nanoribbons: A DFT study
9    12    1
Germanene as potential material for sensor of toxic gases CO2, SO2, and CH4: A DFT study

Germanene as potential material for sensor of toxic gases CO2, SO2, and CH4: A DFT study
12    13    1
Organic gas adsorption on vacancy defect Germanene: A DFT study

Organic gas adsorption on vacancy defect Germanene: A DFT study
10    16    1
Zinc-doped silicene nanoribbons under the influence of constant electric field: A DFT study

Zinc-doped silicene nanoribbons under the influence of constant electric field: A DFT study
8    16    1
Some properties of Ga-doped silicene nanoribbons: A DFT study

Some properties of Ga-doped silicene nanoribbons: A DFT study
11    12    1
Some properties of As-doped silicene nanoribbons: A DFT study

Some properties of As-doped silicene nanoribbons: A DFT study
14    16    1
Feature-rich electronic properties of germanene nanoribbons under fluorine doping effect: A DFT study

Feature-rich electronic properties of germanene nanoribbons under fluorine doping effect: A DFT study
13    17    1
Structural and electrical properties of germanene nanoribbons doped with boron - A DFT study

Structural and electrical properties of germanene nanoribbons doped with boron - A DFT study
8    10    1
Structural and electronic properties of germanene adsorbing O2, N2, and H2 gases: A DFT study

Structural and electronic properties of germanene adsorbing O2, N2, and H2 gases: A DFT study
6    9    1
Thermal versus photochemical tautomerization of cytosine and guanine: a BLYP computational study along the IRC curves

Thermal versus photochemical tautomerization of cytosine and guanine: a BLYP computational study along the IRC curves
9    16    1
Sers chemical enhancement of 2,4,5-trichlorophenoxyacetic acid absorbed on Au20, ITS Au-Ag AND Au-Cu bimetallic clusters: A DFT study

Sers chemical enhancement of 2,4,5-trichlorophenoxyacetic acid absorbed on Au20, ITS Au-Ag AND Au-Cu bimetallic clusters: A DFT study
11    10    1
First-principles study of electronic and optical properties and photocatalytic performance of MS monolayer under strain

First-principles study of electronic and optical properties and photocatalytic performance of MS monolayer under strain
8    11    1
DFT study of the decomposition reactions of nitroethyl benzoates catalyzed by the 1,3-dimethylimidazolium cation

DFT study of the decomposition reactions of nitroethyl benzoates catalyzed by the 1,3-dimethylimidazolium cation
8    76    0