"dft theoretical level" trang 4 - tải miễn phí từ tailieuXANH
Structure and chemical bond of carbodiylide complexes [W(CO)5{C(ECp*)2}] (E = B to Tl): DFT calculations

Structure and chemical bond of carbodiylide complexes [W(CO)5{C(ECp*)2}] (E = B to Tl): DFT calculations
8    106    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
Bảo mật thoại đầu cuối với MDCT

Bảo mật thoại đầu cuối với MDCT
7    50    1
Chemisorption of enrofloxacin on rutile TiO2 (110) surface: A theoretical investigation

Chemisorption of enrofloxacin on rutile TiO2 (110) surface: A theoretical investigation
8    59    0
The VPF harmonic analysis algorithm based on quasi-synchronous DFT

The VPF harmonic analysis algorithm based on quasi-synchronous DFT
11    59    1
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
Antioxidant potential of five compounds from the marine fungus aspergillus flocculosus by dft method: Hat and set mechanism

Antioxidant potential of five compounds from the marine fungus aspergillus flocculosus by dft method: Hat and set mechanism
6    87    0
Nghiên cứu khả năng chống oxy hóa của thiamine (vitamin B1) bằng phương pháp phiếm hàm mật độ (DFT)

Nghiên cứu khả năng chống oxy hóa của thiamine (vitamin B1) bằng phương pháp phiếm hàm mật độ (DFT)
6    155    0
Synthesis, crystal structure, DFT studies and biological activity of (Z)-3- (3-bromophenyl)-1-(1,5-dimethyl-1H-pyrazol-3- yl)-3-hydroxyprop-2-en-1-one

Synthesis, crystal structure, DFT studies and biological activity of (Z)-3- (3-bromophenyl)-1-(1,5-dimethyl-1H-pyrazol-3- yl)-3-hydroxyprop-2-en-1-one
11    47    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    64    0
Crystal structure, DFT calculations and evaluation of 2‑(2‑(3,4‑dimethoxyphenyl) ethyl)isoindoline‑1,3‑dione as AChE inhibitor

Crystal structure, DFT calculations and evaluation of 2‑(2‑(3,4‑dimethoxyphenyl) ethyl)isoindoline‑1,3‑dione as AChE inhibitor
9    48    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    45    0
Effect of backbone conformation and its defects on electronic properties and assessment of the stabilizing role of π–π interactions in aryl substituted polysilylenes studied by DFT on deca[methyl(phenyl)silylene]s

Effect of backbone conformation and its defects on electronic properties and assessment of the stabilizing role of π–π interactions in aryl substituted polysilylenes studied by DFT on deca[methyl(phenyl)silylene]s
14    45    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
Synthesis, spectroscopic, dielectric, molecular docking and DFT studies of (3E)-3-(4-methylbenzylidene)-3,4-dihydro2H-chromen-2-one: An anticancer agent

Synthesis, spectroscopic, dielectric, molecular docking and DFT studies of (3E)-3-(4-methylbenzylidene)-3,4-dihydro2H-chromen-2-one: An anticancer agent
19    61    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
Absorption of isopropanol on surface of defect silicene

Absorption of isopropanol on surface of defect silicene
8    65    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
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