scientific article; zbMATH DE number 1996318

MaRDI QIDQ4432291zbMATH OpenFDO

Authors Cristian Cardenas-Lailhacar

Publication date 22 October 2003

zbMATH Keywords

isomerization reactions

Mathematics Subject Classification ID

Asymptotic distribution theory in statistics (62E20) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Chemistry (92E99)

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• Coupling relations between molecular electronic and geometrical degrees of freedom in density functional theory and charge sensitivity analysis
• Electronic-geometric coupling in model reactive system
• On hardness and electronegativity equalization in chemical reactivity theory

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