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Pongor, Gábor, Fogarasi, Géza, Magdó, Ildikó, Boggs, James E., Keresztury, Gábor, Ignatyev, Igor S. (1992) Theoretical prediction of vibrational spectra. The a priori scaled quantum mechanical (SQM) force field and vibrational spectra of pyrimidine. Spectrochimica Acta Part A: Molecular Spectroscopy, 48 (1). 111-119 doi:10.1016/0584-8539(92)80204-a

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Reference TypeJournal (article/letter/editorial)
TitleTheoretical prediction of vibrational spectra. The a priori scaled quantum mechanical (SQM) force field and vibrational spectra of pyrimidine
JournalSpectrochimica Acta Part A: Molecular Spectroscopy
AuthorsPongor, GáborAuthor
Fogarasi, GézaAuthor
Magdó, IldikóAuthor
Boggs, James E.Author
Keresztury, GáborAuthor
Ignatyev, Igor S.Author
Year1992 (January)Volume48
Issue1
PublisherElsevier BV
DOIdoi:10.1016/0584-8539(92)80204-aSearch in ResearchGate
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Mindat Ref. ID9556614Long-form Identifiermindat:1:5:9556614:4
GUID0
Full ReferencePongor, Gábor, Fogarasi, Géza, Magdó, Ildikó, Boggs, James E., Keresztury, Gábor, Ignatyev, Igor S. (1992) Theoretical prediction of vibrational spectra. The a priori scaled quantum mechanical (SQM) force field and vibrational spectra of pyrimidine. Spectrochimica Acta Part A: Molecular Spectroscopy, 48 (1). 111-119 doi:10.1016/0584-8539(92)80204-a
Plain TextPongor, Gábor, Fogarasi, Géza, Magdó, Ildikó, Boggs, James E., Keresztury, Gábor, Ignatyev, Igor S. (1992) Theoretical prediction of vibrational spectra. The a priori scaled quantum mechanical (SQM) force field and vibrational spectra of pyrimidine. Spectrochimica Acta Part A: Molecular Spectroscopy, 48 (1). 111-119 doi:10.1016/0584-8539(92)80204-a
In(1992, January) Spectrochimica Acta Part A: Molecular Spectroscopy Vol. 48 (1) Elsevier BV

See Also

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Fogarasi, Géza, Császár, Attila G. (1988) Theoretical prediction of vibrational spectra. Scaled quantum mechanical (SQM) force field for fluorobenzene. Spectrochimica Acta Part A: Molecular Spectroscopy, 44 (11). 1067-1077 doi:10.1016/0584-8539(88)80074-6
Császár, Attila G., Fogarasi, Géza (1989) Scaled quantum mechanical (SQM) force field and theoretical vibrational spectrum for benzonitrile. Spectrochimica Acta Part A: Molecular Spectroscopy, 45 (8). 845-854 doi:10.1016/0584-8539(89)80222-3
Mátrai, Erzsébet, Császár, Pál, Fogarasi, Géza, Gál, Miklós (1985) Scaled quantum mechanical (SQM) force field and vibrational assignment for cyclohexane. Spectrochimica Acta Part A: Molecular Spectroscopy, 41 (3). 425-433 doi:10.1016/0584-8539(85)80148-3
Somogyi, Árpád, Jalsovszky, George, Fülöp, Csaba, Stark, Jeff, Boggs, James E. (1989) Use of a scaled quantum-mechanical (SQM) force field for the interpretation and prediction of the vibrational spectra of 4H-pyran-4-thione. Spectrochimica Acta Part A: Molecular Spectroscopy, 45 (6). 679-693 doi:10.1016/0584-8539(89)80178-3
Hargitai, Richard, Szalay, Péter G., Pongor, Gábor, Fogarasi, Géza (1994) Scaled quantum mechanical (SQM) force field and vibrational assignment for styrene. Journal of Molecular Structure: THEOCHEM, 306. 293-311 doi:10.1016/0166-1280(94)80049-9
Császár, Pál, Császár, Attila, Somogyi, Árpád, Dinya, Zoltán, Holly, Sándor, Gál, Miklós, Boggs, James E. (1986) Vibrational spectra, scaled quantum-mechanical (SQM) force field and assignments for 4H-pyran-4-one. Spectrochimica Acta Part A: Molecular Spectroscopy, 42 (4). 473-486 doi:10.1016/0584-8539(86)80043-5
Berces, Attila R., Szalay, Peter G., Magdo, Ildiko, Fogarasi, Geza, Pongor, Gabor (1993) A priori results for molecular geometry, scaled quantum mechanical (SQM) force field, and vibrational spectra of pyridazine. The Journal of Physical Chemistry, 97 (7). 1356-1363 doi:10.1021/j100109a018
Keresztury, Gábor, Holly, Sándor, Marzocchi, Mario P. (1977) Vibrational spectra of crystalline dimethylglyoxime, HONCCH3CH3CNOH. Spectrochimica Acta Part A: Molecular Spectroscopy, 33 (1). 29-36 doi:10.1016/0584-8539(77)80144-x
Ignatyev, I.S., Schenzel, K., Sundius, T. (1992) Normal coordinate analysis of the vibrational spectra of stannatranes. Spectrochimica Acta Part A: Molecular Spectroscopy, 48 (4). 489-493 doi:10.1016/0584-8539(92)80039-y
Pongor, Gabor, Pulay, Peter, Fogarasi, Geza, Boggs, James E. (1984) Theoretical prediction of vibrational spectra. 1. The in-plane force field and vibrational spectra of pyridine. Journal Of The American Chemical Society, 106 (10) 2765-2769 doi:10.1021/ja00322a006
Fogarasi, Géza, Szalay, Péter G., Liescheski, Phillip P., Boggs, James E., Pulay, Péter (1987) Scaled quantum mechanical (SQM) force field and vibrational assignment for hexatriene. Journal of Molecular Structure: THEOCHEM, 151. 341-354 doi:10.1016/0166-1280(87)85069-8
 
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