Showing results 2 to 21 of 30
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Issue Date | Title | Author(s) |
1-Jan-1978 | Ab initio CI study of the coupling of small vibrations in the ground and<sup>1</sup>B<inf>g</inf>(N, n*) excited states of N<inf>2</inf>H<inf>2</inf> | Perić, Miljenko ; Buenker, Robert J.; Peyerimhoff, Sigrid D. |
1-Jan-1995 | Ab initio investigation of the Renner-Teller effect in the X <sup>2</sup>Π<inf>u</inf> electronic state of C<inf>2</inf>H<inf>2</inf><sup>+</sup> | Perić, Miljenko ; Peyerimhoff, Sigrid D. |
1-Jan-1991 | Ab initio investigation of the vibronic structure in the C<inf>2</inf>H spectrum: Calculation of vibronic energies and wavefunctions for various isotopomers | Perić, Miljenko ; Peyerimhoff, Sigrid D.; Buenker, Robert J. |
1-Jan-1991 | Ab initio investigation of the vibronic structure in the C<inf>2</inf>H spectrum: Spin-orbit splitting of the vibronic levels | Perić, Miljenko ; Reuter, Willi; Peyerimhoff, Sigrid D. |
1-Jan-1993 | Ab initio investigation of the vibronic structure of the 3p <sup>2</sup>Π (Rydberg) state of HCO and DCO | Perić, Miljenko ; Peyerimhoff, Sigrid D. |
1-Jan-1990 | Ab initio investigation of the vibronic structure of the C<inf>2</inf>H spectrum II. Calculation of diabatic potential surfaces for the three lowest-lying electronic states in C<inf>2</inf>H | Perić, Miljenko ; Buenker, Robert J.; Peyerimhoff, Sigrid D. |
1-Jan-1990 | Ab initio investigation of the vibronic structure of the C<inf>2</inf>H spectrum III. Calculation of vibronic energies and transition probabilities in the X<sup>2</sup>Ʃ<sup>+</sup>, A<sup>2</sup>П system | Perić, Miljenko ; Peyerimhoff, Sigrid D.; Buenker, Robert J. |
1-Jan-1991 | Ab initio investigation of the vibronic structure of the C<inf>2</inf>H spectrum: Calculation of the hyperfine coupling constants for the three lowest-lying electronic states | Perić, Miljenko ; Engels, Bernd; Peyerimhoff, Sigrid D. |
1-Jan-1991 | Ab initio investigation of the vibronic structure of the C<inf>2</inf>H spectrum: Computation of the vibronically averaged values for the hyperfine coupling constants | Perić, Miljenko ; Engels, Bernd; Peyerimhoff, Sigrid D. |
1-Jan-1984 | Ab initio study of the HNC → HCN isomerization. II. Calculation of the isomerization rate constant | Perić, Miljenko ; Mladenović, Mirjana; Peyerimhoff, Sigrid D.; Buenker, Robert J. |
15-Dec-1983 | Ab initio study of the isomerization HNC → HCN. I. Ab initio calculation of the HNC ⇌ HCN potential surface and the corresponding energy levels | Perić, Miljenko ; Mladenović, Mirjana; Peyerimhoff, Sigrid D.; Buenker, Robert J. |
2-Mar-1984 | Ab initio study of the Renner-Teller effect in <sup>1</sup>Δ<inf>g</inf> state of CH<inf>2</inf> | Perić, Miljenko ; Peyerimhoff, Sigrid D.; Buenker, Robert J. |
1-Jan-1995 | Ab initio study of the renner-teller effect in the X<sup>2</sup>Π<inf>u</inf> electronic state of B<inf>2</inf>H<sup>+</sup><inf>2</inf> | Perić, Miljenko ; Engels, Bernd; Peyerimhoff, Sigrid D. |
1-Jan-1995 | Ab initio study of the vibronic and spin-orbit coupling in the X <sup>2</sup>Π<inf>u</inf> state of C<inf>2</inf>H<inf>2</inf><sup>+</sup> | Perić, Miljenko ; Thümmel, Helmar; Marian, Christel M.; Peyerimhoff, Sigrid D. |
1-Jan-1991 | Ab initio study of the vibronic structure for the X<sup>2</sup>B<inf>1</inf> and A<sup>2</sup>A, electronic states of H<inf>2</inf>O<sup>+</sup> | Reuter, Willi; Perić, Miljenko ; Peyerimhoff, Sigrid D. |
1-Jan-1985 | Ab initio treatment of the renner-teller effect and application to various AH<inf>2</inf> and HAB molecules | Perić, Miljenko D.; Peyerimhoff, Sigrid D.; Buenker, Robert J. |
10-Aug-1981 | Ab initio treatment of the renner-teller effect for the X<sup>2</sup>B<inf>1</inf> and A<sup>2</sup>A, electronic states of NH<inf>2</inf> | Buenker, Robert J.; Perić, Miljenko ; Peyerimhoff, Sigrid D.; Marian, Ralf |
1-Sep-1976 | AB initio vibrational analysis of the Schumann-Runge bands and the neighboring absorption region of molecular oxygen | Buenker, Robert J.; Peyerimhoff, Sigrid D.; Perić, Miljenko |
15-Apr-1978 | Calculation of the electron affinity and <sup>1</sup>A<inf>1</inf>-<sup>3</sup>B<inf>1</inf> T<inf>0</inf> value of methylene using the ab initio MRD CI method for a large AO basis | Shih, Shing Kuo; Peyerimhoff, Sigrid D.; Buenker, Robert J.; Perić, Miljenko |
1-Jan-1979 | Calculation of wavefunctions and frequencies for noninfinitesimal vibrations. Comparison of various methods using ab initio CI potential curves | Perić, Miljenko ; Runau, Ralf; Römelt, Joachim; Peyerimhoff, Sigrid D.; Buenker, Robert J. |