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  1. RePhyChem
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Browsing by Author Buenker, Robert J.


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Showing results 1 to 20 of 20
Issue DateTitleAuthor(s)
1-Jan-1978Ab 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-1991Ab initio investigation of the vibronic structure in the C<inf>2</inf>H spectrum: Calculation of vibronic energies and wavefunctions for various isotopomersPerić, Miljenko ; Peyerimhoff, Sigrid D.; Buenker, Robert J.
1-Jan-1990Ab 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>HPerić, Miljenko ; Buenker, Robert J.; Peyerimhoff, Sigrid D.
1-Jan-1990Ab 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 systemPerić, Miljenko ; Peyerimhoff, Sigrid D.; Buenker, Robert J.
10-Oct-1988Ab initio MRD-CI study of the renner-teller effect and spin-orbit coupling in the X<inf>2</inf>Π<inf>g</inf> ground state of BO<inf>2</inf>Perić, Miljenko ; Bhanuprakash, K.; Buenker, Robert J.
10-Aug-1986Ab initio MRD-CI study of the renner-teller effect and spin-orbit coupling in the X<sup>2</sup>ground state of NCOPerić, Miljenko ; Hess, Bernd A.; Buenker, Robert J.
1-Jan-1984Ab initio study of the HNC → HCN isomerization. II. Calculation of the isomerization rate constantPerić, Miljenko ; Mladenović, Mirjana; Peyerimhoff, Sigrid D.; Buenker, Robert J.
15-Dec-1983Ab initio study of the isomerization HNC → HCN. I. Ab initio calculation of the HNC ⇌ HCN potential surface and the corresponding energy levelsPerić, Miljenko ; Mladenović, Mirjana; Peyerimhoff, Sigrid D.; Buenker, Robert J.
2-Mar-1984Ab 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-1985Ab initio treatment of the renner-teller effect and application to various AH<inf>2</inf> and HAB moleculesPerić, Miljenko D.; Peyerimhoff, Sigrid D.; Buenker, Robert J.
10-Aug-1981Ab 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-1976AB initio vibrational analysis of the Schumann-Runge bands and the neighboring absorption region of molecular oxygenBuenker, Robert J.; Peyerimhoff, Sigrid D.; Perić, Miljenko 
15-Apr-1978Calculation 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 basisShih, Shing Kuo; Peyerimhoff, Sigrid D.; Buenker, Robert J.; Perić, Miljenko 
1-Jan-1979Calculation of wavefunctions and frequencies for noninfinitesimal vibrations. Comparison of various methods using ab initio CI potential curvesPerić, Miljenko ; Runau, Ralf; Römelt, Joachim; Peyerimhoff, Sigrid D.; Buenker, Robert J.
1-Jan-1987Potential surfaces for valence-type singlet electronic states of the HCN moleculePerić, Miljenko ; Dohmann, H.; Peyerimhoff, S. D.; Buenker, Robert J.
1-Jan-1984Theoretical study of the U.V. Spectrum of acetylene I. Ab initio calculation of singlet electronic states of acetylene by a large-scale CI methodPerić, Miljenko ; Buenker, Robert J.; Peyerimhoff, Sigrid D.
10-Aug-1985Theoretical study of the U.V. spectrum of acetylene ii. Ab initio treatment of the renner-teller effect in 1<sup>1</sup>Π<inf>u</inf> and 1<sup>1</sup>Δ<inf>g</inf> electronic statesPerić, Miljenko ; Peyerimhoff, Sigrid D.; Buenker, Robert J.
20-Dec-1987Theoretical study of the U.V. spectrum of acetylene: III. AB initio investigation of the valence-type singlet electronic statesPerić, Miljenko ; Peyerimhoff, Sigrid D.; Buenker, Robert J.
10-Jun-1983Use of the vibronic CI method in accurate calculations of the renner-teller effectPerić, Miljenko ; Peyerimhoff, Sigrid D.; Buenker, Robert J.
20-Dec-1986Use of trigonometric series for solution of the schrödinger equation for bending vibrations in triatomic moleculesPerić, Miljenko ; Buenker, Robert J.; Peyerimhoff, Sigrid D.
Showing results 1 to 20 of 20

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University of Belgrade
Faculty of Physical Chemistry
Studentski trg 12-16
11158 Belgrade 118
PAC 105305
SERBIA
University of Belgrade Faculty of Physical Chemistry