THEORETICAL STUDYOF THE [Fe(enb(NCSb] COMPLEXWITH REPARAMETERIZED DENSITYFUNCTIONALS
ABSTRACT Quantum chemical studies have been carried out on the Fe(enMNCSh (en = ethylenediamine)complex both in low and high spin states (S = 0 and S = 2) using hybrid exchange-correlationfunctional (B3LYP) and non-hybrid method (BLYP). Calculationswere performed in vacuum and in methanol to study t...
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| Format: | Article NonPeerReviewed |
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[Yogyakarta] : Universitas Gadjah Mada
2009
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| Online Access: | https://repository.ugm.ac.id/28033/ http://i-lib.ugm.ac.id/jurnal/download.php?dataId=11096 |
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| Institution: | Universitas Gadjah Mada |