Crossref Cited-by Linking logo

Collect. Czech. Chem. Commun. 1988, 53, 2073-2081
https://doi.org/10.1135/cccc19882073

Applications of the MBPT in the localized representation the behaviour of the localization terms

Ede Kapuya,b, Zoltán Csépesb, Ferencz Barthaa, Ferencz Bogára and Cornelia Kozmutzab

a Department of Theoretical Physics, József Attila University, H-6720 Szeged, Hungary
b Quantum Theory Group, Physics Institute, Technical University of Budapest, H-1421 Budapest, Hungary

Crossref Cited-by Linking

  • Williams G.R.J., Kozmutza C., Kapuy E., Evleth E.M., Kassab E., Limtrakul Jumras, Yoinuan Jarungsak, Tantanak Duangkamol: Excited-state absorption and hyperpolarizability in silicon naphthalocyanines. Journal of Molecular Structure: THEOCHEM 1995, 332, 137. <https://doi.org/10.1016/0166-1280(94)03890-W>
  • Kozmutza Cornelia, Kapuy Ede, Xu X., Wang N., Zhang Q., Varnali T., Aviyente V., Terryn B., Ruiz-L��pez M.F.: Solvent-assisted interaction between molecules: calculations at the Hartree-Fock + correlation level Part 1. The study of the BH3 + H2O and NH3 + NH3 systems. Journal of Molecular Structure: THEOCHEM 1993, 280, 155. <https://doi.org/10.1016/0166-1280(93)80001-G>
  • Kozmutza C., Kapuy E.: Counterpoise corrected calculations at the correlated level: A simplified method using LMOs. J Comput Chem 1991, 12, 953. <https://doi.org/10.1002/jcc.540120808>
  • Tupper Kenneth J., Gajewski Joseph J., Counts Richard W., Kozmutza C., Ozor��czy Zs., Tfirst E., Kapuy E., Ren Jingqing, Amberger Hanns-Dieter: Semiempirical computation of homolytic O-H bond dissociation energies of alcohols: comparison of the AM1 and PM3 methods. Journal of Molecular Structure: THEOCHEM 1991, 236, 211. <https://doi.org/10.1016/0166-1280(91)80014-Y>
  • Randi�� Milan, K��puy Ede, Bog��r Ferenc, Bartha Ferenc, Kozmutza Cornelia, Von Szentp��ly L��szl��: Correlation of enthalphy of octanes with orthogonal connectivity indices. Journal of Molecular Structure: THEOCHEM 1991, 233, 45. <https://doi.org/10.1016/0166-1280(91)85054-B>
  • Tfirst E., Kozmutzma C., Kapuy E.: Integral transformation on microcomputers utilizing the spatial symmetry of localized orbitals. Journal of Molecular Structure: THEOCHEM 1991, 227, 93. <https://doi.org/10.1016/0166-1280(91)85275-C>
  • Kapuy Ede, Kozmutza Cornelia: Calculation of the dispersion interaction energy by using localized molecular orbitals. The Journal of Chemical Physics 1991, 94, 5565. <https://doi.org/10.1063/1.460492>
  • Kapuy Ede, Bartha Ferenc, Bogár Ferenc, Csépes Zoltán, Kozmutza Cornelia: Applications of the MBPT in the localized representation. Int J of Quantum Chemistry 1990, 38, 139. <https://doi.org/10.1002/qua.560380209>
  • Kozmutza C., Kapuy E.: Localized orbitals for the description of molecular interaction. Int J of Quantum Chemistry 1990, 38, 665. <https://doi.org/10.1002/qua.560380508>