期刊论文详细信息
Croatica Chemica Acta | |
Basicities of Strong Bases in Water: A Computational Study | |
Leito, Ivo2  Kaupmees, Karl2  Trummal, Aleksander1  | |
[1] National Institute of Chemical Physics and Biophysics, 10 Rävala Blvd., Tallinn 10143, Estonia;University of Tartu, Institute of Chemistry, 14a Ravila str, 50411 Tartu, Estonia | |
关键词: superbases; quantum chemistry in solution; aqueous basicity; DBU; | |
DOI : | |
学科分类:化学(综合) | |
来源: Croatica Chemica Acta | |
【 摘 要 】
Aqueous pKa values of strong organic bases �? DBU, TBD, MTBD, different phosphazene bases, etc �? were computed with CPCM, SMD and COSMO-RS approaches. Explicit solvent molecules were not used. Direct computations and computations with...
【 授权许可】
Unknown
【 预 览 】
Files | Size | Format | View |
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RO201911300689235ZK.pdf | 1823KB | download |