期刊论文详细信息
Croatica Chemica Acta | |
Simple Method for the Estimation of pKa of Amines | |
Juranić, Ivan1  | |
[1] Department of Chemistry, University of Belgrade, P.O.Box 473, 11001 Belgrade, Serbia | |
关键词: amine pKa constants; partial atomic charges; MNDO-PM6 calculations; | |
DOI : | |
学科分类:化学(综合) | |
来源: Croatica Chemica Acta | |
【 摘 要 】
A simple and efficient model for the estimation of alkylamine basicities (through corresponding pKa values) is developed. Model uses partial atomic charges of hydrogen and of neighboring nitrogen cal-culated by MNDO-PM6 semiempirical...
【 授权许可】
Unknown
【 预 览 】
Files | Size | Format | View |
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RO201911300657314ZK.pdf | 768KB | download |