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Botschwina, Peter (1994) Large-scale ab initio calculations of spectroscopic constants for CNCN. Chemical Physics Letters, 225. 480-485 doi:10.1016/0009-2614(94)87115-9

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Reference TypeJournal (article/letter/editorial)
TitleLarge-scale ab initio calculations of spectroscopic constants for CNCN
JournalChemical Physics Letters
AuthorsBotschwina, PeterAuthor
Year1994 (August)Volume225
PublisherElsevier BV
DOIdoi:10.1016/0009-2614(94)87115-9Search in ResearchGate
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Mindat Ref. ID5891330Long-form Identifiermindat:1:5:5891330:1
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Full ReferenceBotschwina, Peter (1994) Large-scale ab initio calculations of spectroscopic constants for CNCN. Chemical Physics Letters, 225. 480-485 doi:10.1016/0009-2614(94)87115-9
Plain TextBotschwina, Peter (1994) Large-scale ab initio calculations of spectroscopic constants for CNCN. Chemical Physics Letters, 225. 480-485 doi:10.1016/0009-2614(94)87115-9
In(n.d.) Chemical Physics Letters Vol. 225. Elsevier BV

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Botschwina, Peter, Flügge, Jörg (1991) Ab initio vibration—rotation coupling constants and the equilibrium geometries of NCCN and CNCN. Chemical Physics Letters, 180. 589-593 doi:10.1016/0009-2614(91)85015-o
Botschwina, Peter (1994) The equilibrium geometry and some spectroscopic constants of C5 from large‐scale ab initio calculations. The Journal of Chemical Physics, 101 (1). 853-854 doi:10.1063/1.468090
Botschwina, P., Flügge, J. (1993) Ab initio vibration-rotation coupling constants and the equilibrium geometries of NCCN and CNCN. Chemical Physics Letters, 210. 495pp. doi:10.1016/0009-2614(93)87059-c
Botschwina, Peter, Reisenauer, Hans Peter (1991) C3O: ab initio calculations and matrix IR spectra. Chemical Physics Letters, 183. 217-222 doi:10.1016/0009-2614(91)80053-z
Surján, Péter, Ángyán, János G. (1994) The reliability of the point charge model representing intermolecular effects in ab initio calculations. Chemical Physics Letters, 225. 258-264 doi:10.1016/0009-2614(94)00636-9
Botschwina, P., Oswald, M., Flügge, J., Heyl, Ä, Oswald, R. (1993) Ab initio Spectroscopic constants and the equilibrium geometry of HCCF. Chemical Physics Letters, 215. 681pp. doi:10.1016/0009-2614(93)89377-t
Horn, Matthias, Botschwina, Peter (1994) An ab initio calculation of the vibrational structure of the first band of the photoelectron spectrum of CCl3. Chemical Physics Letters, 228. 259-267 doi:10.1016/0009-2614(94)00929-5
Botschwina, P., Oswald, M., Flügge, J., Heyl, Ä., Oswald, R. (1993) Ab initio spectroscopic constants and the equilibrium geometry of HCCF. Chemical Physics Letters, 209. 117-125 doi:10.1016/0009-2614(93)87212-l
Mladenović, M., Schmatz, S., Botschwina, P. (1994) Large‐scale ab initio calculations for C3. The Journal of Chemical Physics, 101 (7). 5891-5899 doi:10.1063/1.467305
Stephens, P.J., Chabalowski, C.F., Devlin, F.J., Jalkanen, K.J. (1994) Ab initio calculation of vibrational circular dichroism spectra using large basis set MP2 force fields. Chemical Physics Letters, 225. 247-257 doi:10.1016/0009-2614(94)00605-9
Bauschlicher, Charles W. (1994) An ab initio study of HCuCO. Chemical Physics Letters, 229. 577-580 doi:10.1016/0009-2614(94)01088-9
 
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