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

• المؤلف الرئيسي: Perpustakaan UGM, i-lib
• التنسيق: مقال NonPeerReviewed
• منشور في: [Yogyakarta] : Universitas Gadjah Mada 2012
• الموضوعات: Jurnal i-lib UGM
• الوصول للمادة أونلاين: https://repository.ugm.ac.id/29024/; http://i-lib.ugm.ac.id/jurnal/download.php?dataId=12087
• المؤسسة: Universitas Gadjah Mada

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...