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LOUIS P. HAMMETT WAS one of the founders of physical-organic chemistry, and a major contributor to it. Together with Arthur Lapworth and Christopher Ingold he created a new branch of chemistry, a new ...
采用密度泛函分析了取代苯甲酸中羧基上的H1原子和2个氧原子O2和O3的电荷与取代基的Hammett常数之间的线性关系. 比较了不同密度泛函和电荷计算方法B3LYP/6-311G*/(NBO, Mulliken), (BLYP, BP, PWC)/DNP/(Hirshfeld, Mulliken)对上述线性相关系数的影响. 结果表明, BLYP/DNP/Hirshfeld方法的计算精度高且计算速度快...
Acidity of Silica-Alumina Catalysts By Amine Titration Using Hammett Indicators and FT-IR Study of Pyridine Adsorption
Acidity of Silica-Alumina Catalysts Amine Titration Hammett Indicators FT-IR Study Pyridine Adsorption
2010/6/30
In this study, characterization and surface acidity of Siral (SiO2-Al2O3) compounds were investigated with Hammett acidity functions, the n-butylamine titration method and FTIR analysis of the spectra...