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Collect. Czech. Chem. Commun. 1987, 52, 2603-2612
https://doi.org/10.1135/cccc19872603

Topological aspects of chemical reactivity. Valency changes in the course of chemical reactions

Robert Ponec

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

Crossref Cited-by Linking

  • Ponec Robert, Yuzhakov Gleb, Cooper David L.: Electron Reorganization in Chemical Reactions. Structural Changes from the Analysis of Bond Order Profiles. J. Phys. Chem. A 2003, 107, 2100. <https://doi.org/10.1021/jp027431j>
  • 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, Krack Matthias, Jug Karl: On the definition of valence of functional groups in molecules. Theoret. Chim. Acta 1996, 93, 165. <https://doi.org/10.1007/BF01113350>
  • Maity D.K., Bhattacharyya S.P., Tandon H.C., Ray N.K., Zhao Cun-Yuan, Zhang Yong, Fang Wei-Hai, You Xiao-Zeng: On the characterization of reaction paths by local descriptors: the behaviour of active BO sum and local information entropy along reaction paths and some consequences. Journal of Molecular Structure: THEOCHEM 1996, 367, 59. <https://doi.org/10.1016/S0166-1280(96)04556-3>
  • Maity D.K., Majumdar D.K., Bhattacharyya S.P.: Quantum chemical bond order as a local descriptor for modelling reaction paths. Journal of Molecular Structure: THEOCHEM 1995, 332, 1. <https://doi.org/10.1016/0166-1280(94)03905-Z>
  • Majumdar D., Bhattacharyya S. P., Maity D. K.: Local Hammond postulate and a local model for monitoring reaction paths. Int J of Quantum Chemistry 1992, 43, 567. <https://doi.org/10.1002/qua.560430408>
  • Hotokka Matti, Kimmelma Reijo, Ilchenko N.N., Gorb L.G., Goncharuk V.V., Maity D.K., Majumdar D., Bhattacharyya S.P.: A study of the stable conformations of methylvinyl sulfoxide and sulfone by ab initio calculations. Journal of Molecular Structure: THEOCHEM 1992, 276, 167. <https://doi.org/10.1016/0166-1280(92)80040-S>