"computational chemistry" trang 2 - tải miễn phí từ tailieunhanh
Stereoselective synthesis, X-ray analysis, computational studies and biological evaluation of new thiazole derivatives as potential anticancer agents

Stereoselective synthesis, X-ray analysis, computational studies and biological evaluation of new thiazole derivatives as potential anticancer agents
9    93    0
Synthesis, spectroscopic characterization, and computational studies of 2-cyano-6-hydroxybenzothiazole: A key synthetic intermediate of firefly luciferin

Synthesis, spectroscopic characterization, and computational studies of 2-cyano-6-hydroxybenzothiazole: A key synthetic intermediate of firefly luciferin
34    43    1
New diazo-containing phenolic oximes: structural characterization, computational studies, and solvent extraction of Cu(II), Ni(II), and Zn(II) ions

New diazo-containing phenolic oximes: structural characterization, computational studies, and solvent extraction of Cu(II), Ni(II), and Zn(II) ions
16    64    1
The Future of U.S. Chemistry Research: Benchmarks and Challenges

The Future of U.S. Chemistry Research: Benchmarks and Challenges
160    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    150    0
Ebook Applied chemistry and chemical engineering (Vol 1: Mathematical and analytical techniques): Part 1

Ebook Applied chemistry and chemical engineering (Vol 1: Mathematical and analytical techniques): Part 1
157    14    1
Computational dertermination of protonation for aromatic derivatives

Computational dertermination of protonation for aromatic derivatives
5    17    1
Báo cáo khoa học: Molecular determinants of ligand specificity in family 11 carbohydrate binding modules – an NMR, X-ray crystallography and computational chemistry approach

Báo cáo khoa học: Molecular determinants of ligand specificity in family 11 carbohydrate binding modules – an NMR, X-ray crystallography and computational chemistry approach
12    48    0
Bond dissociation enthalpies in benzene derivatives and effect of substituents: an overview of density functional theory (B3LYP) based computational approach

Bond dissociation enthalpies in benzene derivatives and effect of substituents: an overview of density functional theory (B3LYP) based computational approach
13    67    0
Experimental and theoretical studies on some amino acids and their potential activity as inhibitors for the corrosion of mild steel, part 2

Experimental and theoretical studies on some amino acids and their potential activity as inhibitors for the corrosion of mild steel, part 2
13    86    0
Tautomerization, acidity, basicity, and stability of cyanoform: A computational study

Tautomerization, acidity, basicity, and stability of cyanoform: A computational study
12    103    0
4-aroylpiperidines and 4-(α-hydroxyphenyl)piperidines as selective sigma-1 receptor ligands: Synthesis, preliminary pharmacological evaluation and computational studies

4-aroylpiperidines and 4-(α-hydroxyphenyl)piperidines as selective sigma-1 receptor ligands: Synthesis, preliminary pharmacological evaluation and computational studies
15    91    0
Synthesis, characterization, X-ray structure, computational studies, and bioassay of novel compounds combining thiophene and benzimidazole or 1,2,4-triazole moieties

Synthesis, characterization, X-ray structure, computational studies, and bioassay of novel compounds combining thiophene and benzimidazole or 1,2,4-triazole moieties
9    73    0
Molecular recognition of funarizine dihydrochloride and β-cyclodextrin inclusion complex by NMR and computational approaches

Molecular recognition of funarizine dihydrochloride and β-cyclodextrin inclusion complex by NMR and computational approaches
9    115    0
Hapke-based computational method to enable unmixing of hyperspectral data of common salts

Hapke-based computational method to enable unmixing of hyperspectral data of common salts
15    46    0
Synthesis, characterization, molecular docking, analgesic, antiplatelet and anticoagulant effects of dibenzylidene ketone derivatives

Synthesis, characterization, molecular docking, analgesic, antiplatelet and anticoagulant effects of dibenzylidene ketone derivatives
18    78    0
Potentiometric sensor for iron (III) quantitative determination: Experimental and computational approaches

Potentiometric sensor for iron (III) quantitative determination: Experimental and computational approaches
12    62    0
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    47    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