"the density functional theory" trang 4 - tải miễn phí từ tailieunhanh
Computational studies of 2-(4-oxo-3-phenylthiazolidin-2-ylidene) malononitrile

Computational studies of 2-(4-oxo-3-phenylthiazolidin-2-ylidene) malononitrile
11    79    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    73    1
The mechanism for enhanced oxidation degradation of dioxin-like PCBs (PCB-77) in the atmosphere by the solvation effect

The mechanism for enhanced oxidation degradation of dioxin-like PCBs (PCB-77) in the atmosphere by the solvation effect
14    48    0
Comprehensive spectral identification of key intermediates to the final product of the chiral pool synthesis of radezolid

Comprehensive spectral identification of key intermediates to the final product of the chiral pool synthesis of radezolid
16    91    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    76    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    85    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
Molecular modeling of major tobacco alkaloids in mainstream cigarette smoke

Molecular modeling of major tobacco alkaloids in mainstream cigarette smoke
11    82    0
Absorption of isopropanol on surface of defect silicene

Absorption of isopropanol on surface of defect silicene
8    46    1
A study of orange photoluminescence in cubic nanocrystals ZnS:Mn2

A study of orange photoluminescence in cubic nanocrystals ZnS:Mn2
9    37    1
A density-based clustering approach for identifying overlapping protein complexes with functional preferences

A density-based clustering approach for identifying overlapping protein complexes with functional preferences
16    40    1
Structural, electronic and mechanical properties of few-layer porous nanosheet from spheroidal cage-like ZnO polymorph

Structural, electronic and mechanical properties of few-layer porous nanosheet from spheroidal cage-like ZnO polymorph
10    52    1
An investigation of ZrO2:V nano materials

An investigation of ZrO2:V nano materials
7    49    1
A TDDFT study on TiO2 clusters

A TDDFT study on TiO2 clusters
7    53    1
Separation of functionally divergent muscle precursor cell populations from porcine juvenile muscles by discontinuous Percoll density gradient centrifugation

Separation of functionally divergent muscle precursor cell populations from porcine juvenile muscles by discontinuous Percoll density gradient centrifugation
12    53    1
A seed-extended algorithm for detecting protein complexes based on density and modularity with topological structure and GO annotations

A seed-extended algorithm for detecting protein complexes based on density and modularity with topological structure and GO annotations
28    43    1
Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies

Schiff base of isoniazid and ketoprofen: synthesis, X-ray crystallographic, spectroscopic, antioxidant, and computational studies
23    55    1
Electrochemical oxidation of curcuminoids: An experimental and computational investigation

Electrochemical oxidation of curcuminoids: An experimental and computational investigation
20    46    1
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    32    1
Combined computational and experimental studies on cysteine-sulfadiazine adduct formation

Combined computational and experimental studies on cysteine-sulfadiazine adduct formation
27    46    1