Collect. Czech. Chem. Commun.
1990, 55, 896-902
https://doi.org/10.1135/cccc19900896
A novel approach to the characterization of molecular similarity. The 2nd order similarity index
Robert Ponec and Martin Strnad
Institute of Chemical Process Fundamentals, Czechoslovak Academy of Sciences, 165 02 Prague 6-Suchdol
Crossref Cited-by Linking
- Ponec Robert: Topological aspects of chemical reactivity. Destiny of electron pairs in allowed and forbidden pericyclic reactions. J Phys Org Chem 2017, 30, e3706. <https://doi.org/10.1002/poc.3706>
- Carbó-Dorca R., Amat L., Besalú E., Gironés X., Robert D.: Quantum mechanical origin of QSAR: theory and applications. Journal of Molecular Structure: THEOCHEM 2000, 504, 181. <https://doi.org/10.1016/S0166-1280(00)00363-8>
- Carbó-Dorca Ramon, Besalú Emili: A general survey of molecular quantum similarity. Journal of Molecular Structure: THEOCHEM 1998, 451, 11. <https://doi.org/10.1016/S0166-1280(98)00155-9>
- Ponec Robert: Electron reorganization in chemical reactions: Pair population analysis along concerted reaction path of allowed and forbidden pericyclic reactions. Int J Quantum Chem 1997, 62, 171. <https://doi.org/10.1002/(SICI)1097-461X(1997)62:2<171::AID-QUA5>3.0.CO;2-T>
- Ponec Robert: Electron reorganization in chemical reactions: Pair population analysis along concerted reaction path of allowed and forbidden pericyclic reactions. Int. J. Quant. Chem. 1997, 62, 171. <https://doi.org/10.1002/(SICI)1097-461X(1997)62:2<171::AID-QUA5>3.0.CO;2-T>
- 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>
- 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 Robert, Strnad Martin: Population analysis of pair densities: A link between quantum chemical and classical picture of chemical structure. Int J of Quantum Chemistry 1994, 50, 43. <https://doi.org/10.1002/qua.560500104>
- 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>
