EXTRACTION OF STRONTIUM(II)BY CROWN ETHER: INSIGHTS FROM DENSITY FUNCTIONAL CALCULATION

• 主要作者: Perpustakaan UGM, i-lib
• 格式: Article NonPeerReviewed
• 出版: [Yogyakarta] : Universitas Gadjah Mada 2012
• 主題: Jurnal i-lib UGM
• 在線閱讀: https://repository.ugm.ac.id/29024/; http://i-lib.ugm.ac.id/jurnal/download.php?dataId=12087

The structures, energetic and thermodynamic parameters of crown ethers with different cavity size, electron donating/withdrawing substituent groups and donor atoms have been determined with density functional method at B3L YP level of theory in gas and solvent phase. Small core quasi-relativistic ef...