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Collect. Czech. Chem. Commun. 2001, 66, 1623-1637
https://doi.org/10.1135/cccc20011623

Resonance Energy in Benzene Derivatives with a Variable Functional Group

Otto Exnera and Stanislav Böhmb,*

a Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 166 10 Prague 6, Czech Republic
b Department of Organic Chemistry, Institute of Chemical Technology, Prague, 166 28 Prague 6, Czech Republic

Crossref Cited-by Linking

  • Oziminski Wojciech P., Krygowski Tadeusz M.: Natural bond orbital (NBO) analysis of the angular group induced bond alternation (AGIBA) substituent effect. J of Physical Organic Chem 2010, 23, 551. <https://doi.org/10.1002/poc.1647>
  • Szatylowicz Halina, Krygowski Tadeusz M.: Effect of the Substituent and Hydrogen Bond on the Geometry and Electronic Properties of OH and O− Groups in para-Substituted Phenol and Phenolate Derivatives. J. Phys. Chem. A 2010, 114, 10885. <https://doi.org/10.1021/jp1071204>
  • Böhm Stanislav, Exner Otto: Interaction of two functional groups through the benzene ring: Theory and experiment. J Comput Chem 2009, 30, 1069. <https://doi.org/10.1002/jcc.21131>
  • Suresh Cherumuttathu H., Alexander P., Vijayalakshmi K. Periya, Sajith P. K., Gadre Shridhar R.: Use of molecular electrostatic potential for quantitative assessment of inductive effect. Phys. Chem. Chem. Phys. 2008, 10, 6492. <https://doi.org/10.1039/b809561b>
  • Exner Otto, Böhm Stanislav: Revision of the dual substituent parameter treatment using the DFT‐calculated reaction energies. J of Physical Organic Chem 2007, 20, 454. <https://doi.org/10.1002/poc.1177>
  • Savko M., Ka������kov�� S., Mojze�� P., Jancura D., Mi��kovsk�� P., Uli��n�� J., Rao J. Laxmikanth, Chaitanya G. Krishna, Basavaraja S., Bhanuprakash K., Venkataramana A., B��hm Stanislav, Exner Otto: Ground and excited state properties of naphthazarin: Absorption spectroscopy and theoretical modeling study. Journal of Molecular Structure: THEOCHEM 2007, 803, 79. <https://doi.org/10.1016/j.theochem.2006.09.008>
  • Böhm Stanislav, Exner Otto: Are calculated enthalpies of formation sometimes more reliable than experimental? A test on alkyl substituted benzoic acids. J Comput Chem 2006, 27, 571. <https://doi.org/10.1002/jcc.20368>
  • Exner Otto, Böhm Stanislav: Conjugation of two functional groups through an unsaturated system. J of Physical Organic Chem 2006, 19, 1. <https://doi.org/10.1002/poc.998>
  • Böhm Stanislav, Paŕík Patrik, Exner Otto: Range of validity of the Hammett equation: acidity of substituted ethynylbenzenes. New J. Chem. 2006, 30, 384. <https://doi.org/10.1039/b512698c>
  • Exner Otto, Böhm Stanislav: Analysis of the Ortho Effect: Basicity of 2-Substituted Benzonitriles. Collect. Czech. Chem. Commun. 2006, 71, 1239. <https://doi.org/10.1135/cccc20061239>
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  • Krygowski Tadeusz Marek, Stȩpień Beata Tamara: Sigma- and Pi-Electron Delocalization:  Focus on Substituent Effects. Chem. Rev. 2005, 105, 3482. <https://doi.org/10.1021/cr030081s>
  • Böhm Stanislav, Exner Otto: Basicity of carboxylic acids: resonance in the cation and substituent effects. New J. Chem. 2005, 29, 336. <https://doi.org/10.1039/B411039K>
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  • Böhm Stanislav, Exner Otto: Interaction of Polar Groups with a Bulky Hydrocarbon Residue: Polarizability and Steric Effects. Collect. Czech. Chem. Commun. 2005, 70, 370. <https://doi.org/10.1135/cccc20050370>
  • Böhm Stanislav, Exner Otto: Estimation of Resonance Energy from Forced Nonplanar Conformations of Conjugated Molecules. Collect. Czech. Chem. Commun. 2005, 70, 1577. <https://doi.org/10.1135/cccc20051577>
  • Exner Otto, Böhm Stanislav: Enthalpies of formation of monoderivatives of hydrocarbons: Interaction of polar groups with an alkyl group. J Comput Chem 2004, 25, 1979. <https://doi.org/10.1002/jcc.20124>
  • Böhm Stanislav, Fiedler Pavel, Exner Otto: Analysis of the ortho effect: acidity of 2-substituted benzoic acids. New J. Chem. 2004, 28, 67. <https://doi.org/10.1039/B305986C>
  • Exner Otto, Böhm Stanislav: Validity of the Hammett equation for isolated molecules: basicity of 3- and 4-substituted benzonitriles. Phys. Chem. Chem. Phys. 2004, 6, 3864. <https://doi.org/10.1039/B404556D>
  • Exner Otto, Böhm Stanislav: Electrostatic Calculation of the Substituent Effect: An Efficient Test on Isolated Molecules. Chemistry A European J 2003, 9, 4718. <https://doi.org/10.1002/chem.200304807>
  • Exner Otto, Böhm Stanislav: Background of the Hammett Equation As Observed for Isolated Molecules:  Meta- and Para-Substituted Benzoic Acids. J. Org. Chem. 2002, 67, 6320. <https://doi.org/10.1021/jo020172+>