Collect. Czech. Chem. Commun.
1982, 47, 3393-3404
https://doi.org/10.1135/cccc19823393
Optimization of molecular geometry of para-substituted benzoic acids and their anions by means of gradient CNDO/2 method
Stanislav Böhm and Josef Kuthan
Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6
Crossref Cited-by Linking
- 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>
- Vázquez Luis, Ríos M.A.: Geometrical distortion caused by substituents. Molecular Physics 1988, 65, 129. <https://doi.org/10.1080/00268978800100901>
- Böhm Stanislav, Kuthan Josef: An ab initioLCAO‐MO study of the substituent effect in benzenoid systems: Meta‐ and para‐substituted benzoic acids. Int J of Quantum Chemistry 1984, 26, 21. <https://doi.org/10.1002/qua.560260103>
