Graph theory and molecular orbitals. Total φ-electron energy of alternant hydrocarbons

1972/12/01 by İvan Gutman, I. Gutman, Nenad Trinajstić +1 · 1 voice · 34 citations
Chemistry · Computer Science · Environmental Science · #Chemistry and Chemical Engineering #Computational Drug Discovery Methods #History and advancements in chemistry

paper · doi:10.1016/0009-2614(72)85099-1

crossref issued 1972/12/01 · crossref published 1972/12/01 · crossref published-print 1972/12/01 · openalex publication_date 1972/12/01 · crossref created 2002/07/25 · crossref deposited 2025/09/03 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/29 · crossref indexed 2026/07/31

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Discussions

• #descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips First Zagreb Index has been proposed in "Graph theory and molecular orbitals. Total φ-electron energy of alternant hydrocarb [bsky, 1 points, 0 comments]