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Bounouar, M., Scheurer, Ch. (2008) The impact of approximate VSCF schemes and curvilinear coordinates on the anharmonic vibrational frequencies of formamide and thioformamide. Chemical Physics, 347. 194-207 doi:10.1016/j.chemphys.2007.12.002

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Reference TypeJournal (article/letter/editorial)
TitleThe impact of approximate VSCF schemes and curvilinear coordinates on the anharmonic vibrational frequencies of formamide and thioformamide
JournalChemical Physics
AuthorsBounouar, M.Author
Scheurer, Ch.Author
Year2008 (May)Volume347
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2007.12.002Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID5961581Long-form Identifiermindat:1:5:5961581:3
GUID0
Full ReferenceBounouar, M., Scheurer, Ch. (2008) The impact of approximate VSCF schemes and curvilinear coordinates on the anharmonic vibrational frequencies of formamide and thioformamide. Chemical Physics, 347. 194-207 doi:10.1016/j.chemphys.2007.12.002
Plain TextBounouar, M., Scheurer, Ch. (2008) The impact of approximate VSCF schemes and curvilinear coordinates on the anharmonic vibrational frequencies of formamide and thioformamide. Chemical Physics, 347. 194-207 doi:10.1016/j.chemphys.2007.12.002
In(n.d.) Chemical Physics Vol. 347. Elsevier BV

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Suwan, Iyad, Gerber, R.B. (2010) VSCF in internal coordinates and the calculation of anharmonic torsional mode transitions. Chemical Physics, 373. 267-273 doi:10.1016/j.chemphys.2010.05.025
Strobusch, D., Scheurer, Ch. (2011) Hierarchical expansion of the kinetic energy operator in curvilinear coordinates for the vibrational self-consistent field method. The Journal of Chemical Physics, 135 (12). 124102pp. doi:10.1063/1.3637629
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Richter, F., Thaunay, F., Lauvergnat, D., Carbonnière, P. (2015) Anharmonic Vibrational Treatment Exclusively in Curvilinear Valence Coordinates: The Case of Formamide. The Journal of Physical Chemistry A, 119 (48). 11719-11728 doi:10.1021/acs.jpca.5b08482
Kowal, Andrzej T. (2006) First-principles calculation of geometry and anharmonic vibrational spectra of thioformamide and thioformamide-d2. The Journal of Chemical Physics, 124 (1). 14304pp. doi:10.1063/1.2139995
BOCK, C. W., TRACHTMAN, M., GEORGE, P. (1982) ChemInform Abstract: A COMPARATIVE AB INITIO STUDY OF THE STRUCTURES, DIPOLE MOMENTS, FORCE FIELDS, AND ANHARMONIC FREQUENCIES OF FORMAMIDE AND THIOFORMAMIDE. Chemischer Informationsdienst, 13 (2) doi:10.1002/chin.198202068
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