DFT density functional theory trang 1 tải miễn phí từ TAILIEUCHUNG

"DFT density functional theory" trang 1 - tải miễn phí từ Tailieuchung

DFT (density functional theory) studies on cycloisomerization of 15–membered triazatriacetylenic macrocycle

DFT (density functional theory) studies on cycloisomerization of 15–membered triazatriacetylenic macrocycle

16 46 1

Experimental and computational studies on the absorption properties of novel formazan derivatives

Experimental and computational studies on the absorption properties of novel formazan derivatives

31 29 1

SinV2(N = 1 - 8) clusters: A dft investigation on their dissociation behaviors

SinV2(N = 1 - 8) clusters: A dft investigation on their dissociation behaviors

8 22 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 23 3

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 67 0

A theoretical investigation on the activation of small molecules by a disilenide: A DFT prediction

A theoretical investigation on the activation of small molecules by a disilenide: A DFT prediction

113 21 1

Molecular structure and ammonia gas adsorption capacity of a Cu (II)-1,10-phenanthroline complex intercalated in montmorillonite by DFT simulations

Molecular structure and ammonia gas adsorption capacity of a Cu (II)-1,10-phenanthroline complex intercalated in montmorillonite by DFT simulations

12 2 1

DFT studies of the copper active site in AA13 polysaccharide monooxygenases

DFT studies of the copper active site in AA13 polysaccharide monooxygenases

4 1 1

Absorption of isopropanol on surface of defect silicene

Absorption of isopropanol on surface of defect silicene

8 24 1

The prediction of pKa values for phenolic compounds by the DFT theory

The prediction of pKa values for phenolic compounds by the DFT theory

8 14 1

Antioxidant properties of folic acid: A DFT study

Antioxidant properties of folic acid: A DFT study

7 54 0

Antioxidant properties of folic acid: A DFT study

Antioxidant properties of folic acid: A DFT study

7 50 0

Palladium(0) catalyzed Suzuki cross-coupling reaction of 2,5-dibromo-3-methylthiophene: Selectivity, characterization, DFT studies and their biological evaluations

Palladium(0) catalyzed Suzuki cross-coupling reaction of 2,5-dibromo-3-methylthiophene: Selectivity, characterization, DFT studies and their biological evaluations

12 59 0

Facile synthesis of N- (4-bromophenyl)-1- (3-bromothiophen-2-yl)methanimine derivatives via Suzuki cross-coupling reaction: Their characterization and DFT studies

Facile synthesis of N- (4-bromophenyl)-1- (3-bromothiophen-2-yl)methanimine derivatives via Suzuki cross-coupling reaction: Their characterization and DFT studies

9 73 0

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 1 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 1 1

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