Quantum Computational Chemistry: Modeling and Calculation of S-Block Metal Ion Complexes
The computational study of some s-block metal nitrophenolate complexes, [Ca(THEEN)(PIC)]+ (1), [Ca(THPEN)(H2O)2]2+ (2), Ba(THPEN)(PIC)2 (3) [Na(THPEN)]22+ (4), [Sr(THPEN)(H2O)2]22+ (5) and [Ba(THPEN)(H2O)2]22+ (6) (where THEEN (N,N,N′,N′-Tetrakis(2-hydroxyethyl)ethylenediamine) and THPEN (N,N,N′,N′-...
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| Main Authors: | , |
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| Format: | Book Chapter |
| Language: | English |
| Published: |
IntechOpen
2020
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| Subjects: | |
| Online Access: | https://www.intechopen.com/chapters/71415 |
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