Comparison of prominent methods for computational studies of lanthanoid cation complexation.
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| Title: | Comparison of prominent methods for computational studies of lanthanoid cation complexation. |
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| Alternate Title: | CCSD(T), MP2 ja valiku DFT-meetodite võrdlus lantanoidide katioonide komplekseerumisenergiate arvutamiseks. |
| Authors: | Luhaste, Liisa1, Tämm, Kaido1 kaido.tamm@ut.ee, Sikk, Lauri1, Pupart, Anni1, Toomsalu, Eve1, Burk, Peeter1 |
| Source: | Proceedings of the Estonian Academy of Sciences. 2018, Vol. 67 Issue 1, p106-113. 8p. |
| Database: | Academic Search Ultimate |
| ISSN: | 17366046 |
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| DOI: | 10.3176/proc.2018.1.06 |
