Bounds on molecular properties of systems: first-order properties

DOI10.46793/MATCH.92-2.371FMaRDI QIDQ6562220FDOQ6562220

Authors Patrick W. Fowler, Barry T. Pickup

Publication date 26 June 2024

Published in MATCH - Communications in Mathematical and in Computer Chemistry (Search for Journal in Brave)

zbMATH Keywords

boundsmolecular properties

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Chemical graph theory (05C92)

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Cites work

• scientific article; zbMATH DE number 2130678 (Why is no real title available?)
• scientific article; zbMATH DE number 1123800 (Why is no real title available?)
• scientific article; zbMATH DE number 3264009 (Why is no real title available?)
• scientific article; zbMATH DE number 3394189 (Why is no real title available?)
• scientific article; zbMATH DE number 3111121 (Why is no real title available?)
• Graph energy
• Graph theory and the Jahn-Teller theorem
• On the construction of graphs of nullity one
• The electronic structure of conjugated systems I. General theory
• The electronic structure of conjugated systems II. Unsaturated hydrocarbons and their hetero-derivatives
• The electronic structure of conjugated systems. Parts III and IV
• The electronic structure of conjugated systems. VI
• What is the meaning of the graph energy after all?

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