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Botschwina, Peter (1983) Infrared intensities of polyatomic molecules calculated from SCEP dipole-moment functions and anharmonic vibrational wavefunctions. I. Stretching vibrations of the linear molecules HCN, HCP and C2N2. Chemical Physics, 81. 73-85 doi:10.1016/0301-0104(83)85303-8

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Reference TypeJournal (article/letter/editorial)
TitleInfrared intensities of polyatomic molecules calculated from SCEP dipole-moment functions and anharmonic vibrational wavefunctions. I. Stretching vibrations of the linear molecules HCN, HCP and C2N2
JournalChemical Physics
AuthorsBotschwina, PeterAuthor
Year1983 (November)Volume81
PublisherElsevier BV
DOIdoi:10.1016/0301-0104(83)85303-8Search in ResearchGate
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Mindat Ref. ID5950600Long-form Identifiermindat:1:5:5950600:1
GUID0
Full ReferenceBotschwina, Peter (1983) Infrared intensities of polyatomic molecules calculated from SCEP dipole-moment functions and anharmonic vibrational wavefunctions. I. Stretching vibrations of the linear molecules HCN, HCP and C2N2. Chemical Physics, 81. 73-85 doi:10.1016/0301-0104(83)85303-8
Plain TextBotschwina, Peter (1983) Infrared intensities of polyatomic molecules calculated from SCEP dipole-moment functions and anharmonic vibrational wavefunctions. I. Stretching vibrations of the linear molecules HCN, HCP and C2N2. Chemical Physics, 81. 73-85 doi:10.1016/0301-0104(83)85303-8
In(n.d.) Chemical Physics Vol. 81. Elsevier BV

See Also

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Botschwina, P., Flesch, J., Meyer, W. (1983) Spectroscopic properties of the methyl radical calculated from UHF SCEP wavefunctions. Chemical Physics, 74. 321-338 doi:10.1016/0301-0104(83)85184-2
Botschwina, Peter (1982) Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. III. Stretching vibrations of hydrogen cyanide and acetylenes. Chemical Physics, 68. 41-63 doi:10.1016/0301-0104(82)85079-9
Botschwina, Peter (1988) Anharmonic potential-energy surfaces, vibrational frequencies and infrared intensities calculated from highly correlated wavefunctions. Journal of the Chemical Society, Faraday Transactions 2, 84. 1263pp. doi:10.1039/f29888401263
Botschwina, P., Schulz, B., Horn, M., Matuschewski, M. (1995) Ab initio calculations of stretching vibrational transitions for the linear molecules HCN, HNC, HCCF and HC3N up to high overtones. Chemical Physics, 190. 345-362 doi:10.1016/0301-0104(94)00350-j
Botschwina, Peter (1982) Vibrational frequencies from anharmonicab initio/empirical potential energy functions IV. Diacetylene: frequencies and infrared intensities of stretching vibrations. Molecular Physics, 47. 241-249 doi:10.1080/00268978200100172
Wallace, R. (1983) Large-amplitude vibration in triatoms. III. Application to linear molecules: Vibrational states of HCN. Chemical Physics, 76. 421-427 doi:10.1016/0301-0104(83)85223-9
Botschwina, P., Rosmus, P., Reinsch, E.-A. (1983) Spectroscopic properties of the hydroxonium ion calculated from scep cepa wavefunctions. Chemical Physics Letters, 102. 299-306 doi:10.1016/0009-2614(83)87045-6
Botschwina, Peter (1979) Vibrational frequencies from anharmonic ab initio/empirical potential energy functions. I. Method and application to H2O, HNO, HOF and HOCl. Chemical Physics, 40. 33-44 doi:10.1016/0301-0104(79)85116-2
Bruns, Roy E., Person, Willis B. (1970) Calculated Dipole‐Moment Functions and the Infrared Intensities of HCN and N2O. The Journal of Chemical Physics, 53 (4) 1413-1417 doi:10.1063/1.1674189
BOTSCHWINA, P. (1982) ChemInform Abstract: VIBRATIONAL FREQUENCIES FROM ANHARMONIC AB INITIO/EMPIRICAL POTENTIAL ENERGY FUNCTIONS. PART V. CYANOGEN. FREQUENCIES AND IR INTENSITIES OF STRETCHING VIBRATIONS. Chemischer Informationsdienst, 13 (44) doi:10.1002/chin.198244049
Due Billing, Gert (1983) Semiclassical calculation of energy transfer in polyatomic molecules. VIII. Theory for atom + non-linear triatom. Chemical Physics, 76. 315-329 doi:10.1016/0301-0104(83)85215-x
 
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