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Collect. Czech. Chem. Commun. 1987, 52, 555-562
https://doi.org/10.1135/cccc19870555

Topological aspects of chemical reactivity. On the similarity of molecular structures

Robert Ponec

Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol

Crossref Cited-by Linking

  • Morales-Bayuelo Alejandro, Vivas-Reyes Ricardo: Understanding the Polar Character Trend in a Series of Diels-Alder Reactions Using Molecular Quantum Similarity and Chemical Reactivity Descriptors. Journal of Quantum Chemistry 2014, 2014, 1. <https://doi.org/10.1155/2014/239845>
  • Mandado Marcos, Ponec Robert: Electron reorganization in allowed and forbidden pericyclic reactions: multicenter bond indices as a measure of aromaticity and/or anti‐aromaticity in transition states of pericyclic electrocyclizations. J of Physical Organic Chem 2009, 22, 1225. <https://doi.org/10.1002/poc.1589>
  • Gallegos Saliner Ana, Giron��s Xavier: Topological quantum similarity measures: applications in QSAR. Journal of Molecular Structure: THEOCHEM 2005, 727, 97. <https://doi.org/10.1016/j.theochem.2004.11.062>
  • Amat Lluís, Besalú Emili, Carbó-Dorca Ramon, Ponec Robert: Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures. J. Chem. Inf. Comput. Sci. 2001, 41, 978. <https://doi.org/10.1021/ci000160u>
  • Ponec Robert, Yuzhakov Gleb, Pecka Jaroslav: Similarity approach to chemical reactivity. Torquoselectivity in pericyclic reactions. J Math Chem 1996, 20, 301. <https://doi.org/10.1007/BF01165350>
  • Ponec Robert, Yuzhakov Gleb, Pecka Jaroslav: Similarity approach to chemical reactivity. Theoretical justification of the Hammond postulate. J Math Chem 1996, 19, 265. <https://doi.org/10.1007/BF01166718>
  • Strnad Martin, Ponec Robert: Novel approach to molecular similarity: Second‐order similarity indices from geminal expansion of pair densities. Int J of Quantum Chemistry 1994, 49, 35. <https://doi.org/10.1002/qua.560490106>
  • Ponec R., Strnad M.: Structure of transition states in forbidden pericyclic reactions. The second‐order similarity approach. J of Physical Organic Chem 1992, 5, 764. <https://doi.org/10.1002/poc.610051109>
  • Ponec Robert, Strnad Martin: Electron correlation in pericyclic reactivity: A similarity approach. Int J of Quantum Chemistry 1992, 42, 501. <https://doi.org/10.1002/qua.560420311>
  • Ponec Robert, Strnad Martin: Topological aspects of chemical reactivity. Evans–dewar principle in terms of molecular similarity approach. J of Physical Organic Chem 1991, 4, 701. <https://doi.org/10.1002/poc.610041109>
  • Ponec Robert, Strnad Martin: Topological aspects of chemical reactivity. J Math Chem 1991, 8, 103. <https://doi.org/10.1007/BF01166927>
  • Cooper David L., Allan Neil L.: A novel approach to molecular similarity. J Computer-Aided Mol Des 1989, 3, 253. <https://doi.org/10.1007/BF01533071>