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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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Reference TypeJournal (article/letter/editorial)
TitleScaled quantum mechanical (SQM) force field and vibrational assignment for hexatriene
JournalJournal of Molecular Structure: THEOCHEM
AuthorsFogarasi, GézaAuthor
Szalay, Péter G.Author
Liescheski, Phillip P.Author
Boggs, James E.Author
Pulay, PéterAuthor
Year1987 (May)Volume151
PublisherElsevier BV
DOIdoi:10.1016/0166-1280(87)85069-8Search in ResearchGate
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Mindat Ref. ID8778045Long-form Identifiermindat:1:5:8778045:7
GUID0
Full ReferenceFogarasi, 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
Plain TextFogarasi, 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
In(n.d.) Journal of Molecular Structure: THEOCHEM Vol. 151. 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
Bánhegyi, György, Fogarasi, Géza, Pulay, Péter (1982) Force field and vibrational assignment for cyclobutane from a combination of ab initio calculations and experimental data. Journal of Molecular Structure: THEOCHEM, 89. 1-13 doi:10.1016/0166-1280(82)80146-2
von Carlowitz, Sunhild, Zeil, Werner, Pulay, Péter, Boggs, James E. (1982) The molecular structure, vibrational force field, spectral frequencies, and infrared intensities of CH3POF2. Journal of Molecular Structure: THEOCHEM, 87. 113-124 doi:10.1016/0166-1280(82)80045-6
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
Fogarasi, Géza, Boggs, James E., Pulay, Péter (1983) Theoretical equilibrium geometry, vibrational frequencies and the first electronic transition energy of HCC. Molecular Physics, 50. 139-151 doi:10.1080/00268978300102231
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
Pang, Frank, Boggs, James E., Pulay, Péter, Fogarasi, Géza (1980) The molecular structure of toluene. Journal of Molecular Structure, 66. 281-287 doi:10.1016/0022-2860(80)80182-7
Pang, Frank, Pulay, Péter, Boggs, James E. (1982) The structure of some nitrogen heteroaromatics. Journal of Molecular Structure: THEOCHEM, 88. 79-89 doi:10.1016/0166-1280(82)80110-3
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
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
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
 
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