"A density functional theory study" trang 1 - tải miễn phí từ tailieunhanh
Density functional theory study of hydrogen electroadsorption on the pt(110) surfaces

Density functional theory study of hydrogen electroadsorption on the pt(110) surfaces
7    72    0
Density functional based tight binding study on wurzite ZnS nanowires

Density functional based tight binding study on wurzite ZnS nanowires
10    78    0
A density functional theory study of antioxidant activity of isothiocyanates in broccoli sprouts (Brassica oleracea L.)

A density functional theory study of antioxidant activity of isothiocyanates in broccoli sprouts (Brassica oleracea L.)
7    72    0
CO adsorption of CO, H2O and mechanism of water gas shift reaction on ZnO 1010 catalyst surface: A density functional theory study

CO adsorption of CO, H2O and mechanism of water gas shift reaction on ZnO 1010 catalyst surface: A density functional theory study
10    121    1
Vibrational study of the hydrogen adsorption on the missing row platinum (110) surface

Vibrational study of the hydrogen adsorption on the missing row platinum (110) surface
8    54    0
Theoretical study of the adsorption of n-C4H10 on V2O5/SBA-15 by density functional theory

Theoretical study of the adsorption of n-C4H10 on V2O5/SBA-15 by density functional theory
7    72    1
A study of the (ZrO2)n (n = 1/11) clusters by density functional theory

A study of the (ZrO2)n (n = 1/11) clusters by density functional theory
8    42    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
Study of structural and electronic properties of graphene and some graphene derivatives based on orthorhombic unit cell by density functional theory

Study of structural and electronic properties of graphene and some graphene derivatives based on orthorhombic unit cell by density functional theory
9    14    1
Summary of Chemical PhD Thesis: Theoretical study of CO2 hydrogenation over Ni5, Ni5/MgO, Ni5/AC catalysts using density functional theory

Summary of Chemical PhD Thesis: Theoretical study of CO2 hydrogenation over Ni5, Ni5/MgO, Ni5/AC catalysts using density functional theory
25    38    1
Theoretical study on the reaction mechanism of CO2 formation from acyloxy radicals

Theoretical study on the reaction mechanism of CO2 formation from acyloxy radicals
7    70    0
A computational study on structure and stability of nitrogen-doped titanium clusters TinN (n = 1-10)

A computational study on structure and stability of nitrogen-doped titanium clusters TinN (n = 1-10)
6    74    0
A theoretical investigation of the flurbiprofen methyl ester isomerization as the main step in the photopreparation of anti-inflammatory medicine (S)-flurbiprofen: A DFT study

A theoretical investigation of the flurbiprofen methyl ester isomerization as the main step in the photopreparation of anti-inflammatory medicine (S)-flurbiprofen: A DFT study
10    78    0
Antioxidant properties of folic acid: A DFT study

Antioxidant properties of folic acid: A DFT study
7    75    0
A first principles study on electronic and magnetic properties of defects in ZnO/GaN core-shell nanowire heterostructures

A first principles study on electronic and magnetic properties of defects in ZnO/GaN core-shell nanowire heterostructures
9    60    0
Antioxidant properties of folic acid: A DFT study

Antioxidant properties of folic acid: A DFT study
7    65    0
A study of orange photoluminescence in cubic nanocrystals ZnS:Mn2

A study of orange photoluminescence in cubic nanocrystals ZnS:Mn2
9    37    1
A TDDFT study on TiO2 clusters

A TDDFT study on TiO2 clusters
7    53    1
Nature of second-order nonlinear optical response in phthalocyanine derivatives: a density functional theory study

Nature of second-order nonlinear optical response in phthalocyanine derivatives: a density functional theory study
10    51    1
Theoretical Study on the Adsorption of Carbon Dioxide on Individual and Alkali-Metal Doped MOF-5s1

Theoretical Study on the Adsorption of Carbon Dioxide on Individual and Alkali-Metal Doped MOF-5s1
6    42    1