Collect. Czech. Chem. Commun. 1989, 54, 1433-1436

Calculation of energies of excited states with MNDO CI method

Peter Ertl

Chemistry Institute, Comenius University, 842 15 Bratislava

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Other CCCC articles of these authors

  • Monika Puciová, Peter Ertl and Štefan Toma
    Synthesis of Ferrocenyl-Substituted Heterocycles: The Beneficial Effect of the Microwave Irradiation
    1994, Vol. 59, Issue 1, pp. 175–185 [Abstract]
  • Peter Ertl
    MNDO CI study of the photoisomerization of pentadieniminium
    1990, Vol. 55, Issue 12, pp. 2874–2879 [Abstract]
  • Peter Ertl
    Influence of solvent polarity on the dual fluorescence of p-N,N-dimethylaminobenzonitrile: An AM1 theoretical study
    1990, Vol. 55, Issue 8, pp. 1891–1895 [Abstract]
  • Peter Ertl
    MNDO and AM1 study of molecular geometries in excited states
    1990, Vol. 55, Issue 6, pp. 1399–1403 [Abstract]
  • Peter Ertl
    MNDO study of the E-Z isomerization mechanism of H2C=NR molecules (R = H, CH3, NH2, OH, F)
    1988, Vol. 53, Issue 12, pp. 2986–2994 [Abstract]
  • Peter Ertl and Jaroslav Leška
    A quantum-chemical study of structure of H3O+ in electronically excited states
    1986, Vol. 51, Issue 4, pp. 738–745 [Abstract]
  • Peter Ertl and Jaroslav Leška
    Quantum-chemical study of photochemical E-Z isomerization of methanimine and its fluoro derivatives
    1985, Vol. 50, Issue 6, pp. 1283–1290 [Abstract]