Computational chemistry study trang 1 tải miễn phí từ tailieuXANH

"Computational chemistry study" trang 1 - tải miễn phí từ tailieuXANH

A computational study on structure and stability of nitrogen-doped titanium clusters TinN (n = 1-10)

A computational study on structure and stability of nitrogen-doped titanium clusters TinN (n = 1-10)

6 47 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

Thermal degradation of aqueous 2-aminoethylethanolamine in CO2 capture; identification of degradation products, reaction mechanisms and computational studies

Thermal degradation of aqueous 2-aminoethylethanolamine in CO2 capture; identification of degradation products, reaction mechanisms and computational studies

12 62 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 52 0

Tautomerization, acidity, basicity, and stability of cyanoform: A computational study

Tautomerization, acidity, basicity, and stability of cyanoform: A computational study

12 56 0

Proline-based organocatalyst-mediated asymmetric aldol reaction of acetone with substituted aromatic aldehydes: An experimental and theoretical study

Proline-based organocatalyst-mediated asymmetric aldol reaction of acetone with substituted aromatic aldehydes: An experimental and theoretical study

58 141 1

Molecular mechanism of Diels–Alder reaction between (E)-3,3,3-trichloro-1-nitropropene and cyclopentadiene: B3LYP/6-31G(d) computational study

Molecular mechanism of Diels–Alder reaction between (E)-3,3,3-trichloro-1-nitropropene and cyclopentadiene: B3LYP/6-31G(d) computational study

5 86 1

Thermal versus photochemical tautomerization of cytosine and guanine: a BLYP computational study along the IRC curves

Thermal versus photochemical tautomerization of cytosine and guanine: a BLYP computational study along the IRC curves

9 8 2

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