"DFT study" trang 1 - tải miễn phí từ tailieunhanh
A DFT computational study on the [3+2] cycloaddition between parent thionitrone and nitroethene

A DFT computational study on the [3+2] cycloaddition between parent thionitrone and nitroethene
8    86    0
Electronic and magnetic properties of the [Ni(salophen)]: An experimental and DFT study

Electronic and magnetic properties of the [Ni(salophen)]: An experimental and DFT study
7    83    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
A conceptual DFT study of the molecular properties of glycating carbonyl compounds

A conceptual DFT study of the molecular properties of glycating carbonyl compounds
8    150    0
Effect of molybdenum and tungsten on the reduction of nitrate in nitrate reductase, a DFT study

Effect of molybdenum and tungsten on the reduction of nitrate in nitrate reductase, a DFT study
12    78    0
Cluster model DFT study of lactic acid dehydration over Fe and Sn-BEA zeolite

Cluster model DFT study of lactic acid dehydration over Fe and Sn-BEA zeolite
12    81    1
Theoretical study of carbon dioxide activation by metals (Co, Cu, Ni) supported on activated carbon

Theoretical study of carbon dioxide activation by metals (Co, Cu, Ni) supported on activated carbon
9    40    1
A TD-DFT/DFT study on the ESIPT and photophysical properties of symmetrical 2-hydroxybenzilidene1,3-diamines derivatives

A TD-DFT/DFT study on the ESIPT and photophysical properties of symmetrical 2-hydroxybenzilidene1,3-diamines derivatives
9    9    1
DFT study on adsorption of acetone and toluene on silicene

DFT study on adsorption of acetone and toluene on silicene
8    45    1
DFT study of tautomerism in aklavinone

DFT study of tautomerism in aklavinone
11    27    1
Báo cáo hóa học:

Báo cáo hóa học: " Tuning the electronic properties of boron nitride nanotube by mechanical uni-axial deformation: a DFT study"
11    39    0
Thermochemical parameters of ergothioneine: A dft study using M06, WB97xd and tpsstpss methods

Thermochemical parameters of ergothioneine: A dft study using M06, WB97xd and tpsstpss methods
7    82    0
Antioxidant properties of folic acid: A DFT study

Antioxidant properties of folic acid: A DFT study
7    75    0
Effects of substituents on C - H bond dissociation enthalpies of ent - kaurane diterpenoids: A DFT study

Effects of substituents on C - H bond dissociation enthalpies of ent - kaurane diterpenoids: A DFT study
7    50    0
Effects of substituents on C-H bond dissociation enthalpies of ent-kaurane diterpenoids: A DFT study

Effects of substituents on C-H bond dissociation enthalpies of ent-kaurane diterpenoids: A DFT study
7    82    0
Antioxidant properties of folic acid: A DFT study

Antioxidant properties of folic acid: A DFT study
7    65    0
Microwave assisted synthesis, antifungal activity, DFT and SAR study of 1,2,4-triazolo[4,3-a]pyridine derivatives containing hydrazone moieties

Microwave assisted synthesis, antifungal activity, DFT and SAR study of 1,2,4-triazolo[4,3-a]pyridine derivatives containing hydrazone moieties
9    79    0
Adsorption of 2-butanone on pristine graphene: A first-principles study

Adsorption of 2-butanone on pristine graphene: A first-principles study
9    47    1
A DFT study on structural and electronic properties of n doped anatase TiO2 layers

A DFT study on structural and electronic properties of n doped anatase TiO2 layers
7    59    1
A DFT study on N-doped TiO2 anatase

A DFT study on N-doped TiO2 anatase
8    79    1