STRUCTURE OF IRIDIUM(III)HYDRATIONBASED ON AB INITIOQUANTUMMECHANICAL CHARGE FIELD MOLECULAR DYNAMICSSIMULATIONS
ABSTRACT Structural properties of Iridium(lII) hydration have been studied based on an ab initio Quantum Mechanical Charge Field (QMCF) Molecular Dynamics (MD) Simulations. The most chemical-relevantregion was treated by ab initio calculation at Hartree-Fock level. For the remaining region was calcu...
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| Format: | Article NonPeerReviewed |
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[Yogyakarta] : Universitas Gadjah Mada
2010
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| Online Access: | https://repository.ugm.ac.id/28105/ http://i-lib.ugm.ac.id/jurnal/download.php?dataId=11168 |
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| Institution: | Universitas Gadjah Mada |