"DFT study" trang 1 - tải miễn phí từ tailieuXANH
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    42    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    45    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    84    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    87    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    101    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    75    0
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    33    1
DFT study on adsorption of acetone and toluene on silicene

DFT study on adsorption of acetone and toluene on silicene
8    66    0
DFT study of tautomerism in aklavinone

DFT study of tautomerism in aklavinone
11    185    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    28    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    68    0
Antioxidant properties of folic acid: A DFT study

Antioxidant properties of folic acid: A DFT study
7    51    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    38    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    44    0
Antioxidant properties of folic acid: A DFT study

Antioxidant properties of folic acid: A DFT study
7    47    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    55    0
Adsorption of 2-butanone on pristine graphene: A first-principles study

Adsorption of 2-butanone on pristine graphene: A first-principles study
9    56    0
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    60    0
A DFT study on N-doped TiO2 anatase

A DFT study on N-doped TiO2 anatase
8    74    0
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    46    1
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