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Collect. Czech. Chem. Commun. 1988, 53, 1961-1980
https://doi.org/10.1135/cccc19881961

Electron density analysis of substituent effects in substituted benzenes

Andrew Streitwieser, Jr. and Erich R. Vorpagel

Department of Chemistry, University of California, Berkeley CA 94720, U.S.A.

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  • Wiberg Kenneth B., Frisch Michael J.: Effect of Conjugation on Electron Distributions. Separation of σ and π Terms. J. Chem. Theory Comput. 2016, 12, 1220. <https://doi.org/10.1021/acs.jctc.5b01149>
  • Streitwieser Andrew, Wan Ieng Chim: AIM and NPA Studies of the Role of Polarization in Electronic Structures. J. Phys. Chem. A 2011, 115, 13072. <https://doi.org/10.1021/jp205047f>
  • Wiberg Kenneth B., Rablen Paul R.: Substituent Effects. 7. Phenyl Derivatives. When Is a Fluorine a π-Donor?. J. Org. Chem. 1998, 63, 3722. <https://doi.org/10.1021/jo980463b>
  • Shoda Takayuki, Williams Donald E., Ogorodnikova Natalia A., Bock Charles W., Ogorodnikova Natalia A., Bock Charles W.: Molecular packing analysis. Part 3. The prediction of m-nitroaniline crystal structure. Journal of Molecular Structure: THEOCHEM 1995, 357, 1. <https://doi.org/10.1016/0166-1280(95)04288-H>
  • Irle Stephan, Lischka Hans: An ab initio investigation of the charge-transfer complexes of alkali atoms with oligo (α,α′) thiophenes and oligoparaphenylenes: A model calculation on polaronic and bipolaronic defect structures. The Journal of Chemical Physics 1995, 103, 1508. <https://doi.org/10.1063/1.469772>
  • Ghailane R., Komiha N., Chraibi M., Ogorodnikova Natalia A., Maroulis George: Etude th��orique de la dissociation de NO par attachement ��lectronique ��� courbes de potential ab initio de diff��rents ��tats excit��s de NO���. Journal of Molecular Structure: THEOCHEM 1993, 279, 7. <https://doi.org/10.1016/0166-1280(93)90054-F>
  • Ogorodnikova N. A., Kvasov B. A.: Monosubstituted benzenes. Some features of the electron density distribution obtained byab initio calculations. Russ Chem Bull 1992, 41, 1049. <https://doi.org/10.1007/BF00866583>
  • Agrafiotis Dimitris K., Tansy Brian, Streitwieser Andrew: PRODEN: A new program for calculating integrated projected populations. J Comput Chem 1990, 11, 1101. <https://doi.org/10.1002/jcc.540110914>
  • Bachrach Steven M., Streitwieser Andrew: Application of various population methods to some oxygenated compounds. J Comput Chem 1989, 10, 514. <https://doi.org/10.1002/jcc.540100409>