EXTRACTION OF STRONTIUM(II)BY CROWN ETHER: INSIGHTS FROM DENSITY FUNCTIONAL CALCULATION
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...
| Main Author: | |
|---|---|
| Format: | Article |
| Published: |
[Yogyakarta] : Universitas Gadjah Mada
2012
|
| Subjects: |