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Magdó, I., Pongor, G., Fogarasi, G. (1994) The reliability of scaled quantum mechanical (SQM) force fields at the MINDO/3 level as studied on nitrogen- heteroaromatics. Journal of Molecular Structure: THEOCHEM, 303. 243-253 doi:10.1016/0166-1280(94)80190-8

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Reference TypeJournal (article/letter/editorial)
TitleThe reliability of scaled quantum mechanical (SQM) force fields at the MINDO/3 level as studied on nitrogen- heteroaromatics
JournalJournal of Molecular Structure: THEOCHEM
AuthorsMagdó, I.Author
Pongor, G.Author
Fogarasi, G.Author
Year1994 (January)Volume303
PublisherElsevier BV
DOIdoi:10.1016/0166-1280(94)80190-8Search in ResearchGate
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Mindat Ref. ID8782886Long-form Identifiermindat:1:5:8782886:3
GUID0
Full ReferenceMagdó, I., Pongor, G., Fogarasi, G. (1994) The reliability of scaled quantum mechanical (SQM) force fields at the MINDO/3 level as studied on nitrogen- heteroaromatics. Journal of Molecular Structure: THEOCHEM, 303. 243-253 doi:10.1016/0166-1280(94)80190-8
Plain TextMagdó, I., Pongor, G., Fogarasi, G. (1994) The reliability of scaled quantum mechanical (SQM) force fields at the MINDO/3 level as studied on nitrogen- heteroaromatics. Journal of Molecular Structure: THEOCHEM, 303. 243-253 doi:10.1016/0166-1280(94)80190-8
In(n.d.) Journal of Molecular Structure: THEOCHEM Vol. 303. Elsevier BV

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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
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
Florián, Jan (1992) Scaled quantum mechanical force fields and interpretation of vibrational spectra of differently protonated adenine. Journal of Molecular Structure: THEOCHEM, 253. 83-100 doi:10.1016/0166-1280(92)87099-l
Ystenes, Martin, Brockner, Wolfgang, Menzel, Frank (1994) Vibrational analysis of the P3−7, As3−7, and Sb3−7 cage-like (C3v) anions based on scaled quantum mechanical (SQM) calculations on P3−7. Journal of Molecular Structure: THEOCHEM, 305. 27-34 doi:10.1016/0166-1280(94)80139-8
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
Baranović, Goran, Schrader, Bernhard (1994) Semiempirical scaled valence force fields for benzene. Journal of Molecular Structure: THEOCHEM, 306. 165-175 doi:10.1016/0166-1280(94)80037-5
Palafox, Mauricio Alcolea, Boggs, James E. (1993) Theoretical prediction of the vibrational spectrum, geometry, and scaled quantum mechanical (SQM) force field of phenylsilane, C6H5SiH3. Journal of Molecular Structure: THEOCHEM, 284. 23-35 doi:10.1016/0166-1280(93)87175-d
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
Yates, P.C. (1994) Use of the MM2 force field to model palladium complexes with nitrogen-containing aromatic ligands. Journal of Molecular Structure: THEOCHEM, 303. 55-64 doi:10.1016/0166-1280(94)80173-8
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
Császár, Pál, Cs⇒zár, Attila, Harsànyi, László, Boggs, James E. (1986) Scaled quantum mechanical (SQM) ab initio force field and vibrational spectra of maleimide (1h-pyrrole-2,5-dione). Journal of Molecular Structure: THEOCHEM, 136. 323-337 doi:10.1016/0166-1280(86)80146-4
 
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