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International Journal of Molecular Sciences, Vol. 2, Iss. 4, 2001-10 ,pp. : 148-155

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Fundamentals of Quantum Chemistry: Molecular Spectroscopy and Modern Electronic Structure Computations.

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The Concept of Density Functional Theory Based Descriptors and its Relation with the Reactivity of Molecular Systems: A Semi-Quantitative Study

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Electronic Structure and Reactivity of TM-Doped La_1-xSr_xCoO₃ (TM=Ni, Fe) Heterogeneous Catalysts

By Grice S C   Flavell W R   Thomas A G   Warren S   Marr P G D   Jewitt D E   Khan N   Dunwoody P M   Jones S A  

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Chemical Reactivity as Described by Quantum Chemical Methods

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