Graph representation of quantum mechanical operators as molecular structural formulas

MaRDI QIDQ3626250zbMATH OpenFDO

Authors Joseph Alia

Publication date 22 May 2009

zbMATH Keywords

algebraic analysisgraph theorymolecular graphnon-unitary classificationone-electron operatorsoperator researchquantum mechanicsvalency interaction formula

Mathematics Subject Classification ID

Applications of graph theory (05C90) Operator algebra methods applied to problems in quantum theory (81R15) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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(2)

• New molecular descriptors based upon the Euler equations for chemical graphs
• Embedding and characterization of quantum chemical reaction graphs on two-dimensional orientable surfaces

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