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Collect. Czech. Chem. Commun. 1980, 45, 2201-2214
https://doi.org/10.1135/cccc19802201

Quantum-chemical study of dissociation of meta and para substituted benzoic acids at all-valence-electrons level

Ivan Danihela and Josef Kuthanb

a Department of Organic Chemistry and Biochemistry, Šafárik University, 041 67 Košice
b Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6

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  • Palafox M. Alcolea, Gil M., Núñez J. L.: Spectroscopy of p-Methoxybenzoic Acid: An AM1 and ab Initio Study. Appl Spectrosc 1994, 48, 27. <https://doi.org/10.1366/0003702944027660>
  • Böhm Stanislav, Kuthan Josef: Anab initioLCAO-MOstudy of the substituent effect in benzenoid systems:Meta- andpara-substituted benzoic acids. Int. J. Quantum Chem. 1984, 26, 21. <https://doi.org/10.1002/qua.560260103>