Geza Fogarasi

Geza Fogarasi

Eötvös Loránd University Budapest - Budapest / Hungary
Natural Sciences / Molecular Biology & Genetics
AD Scientific Index ID: 1842398
Eötvös Loránd University
person_outline Geza Fogarasi's MOST POPULAR ARTICLES
1-) Systematic ab initio gradient calculation of molecular geometries, force constants, and dipole moment derivativesP Pulay, G Fogarasi, F Pang, JE BoggsJournal of the American Chemical Society 101 (10), 2550-2560, 197924091979
2-) Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein …P Pulay, G Fogarasi, G Pongor, JE Boggs, A VarghaJournal of the American Chemical Society 105 (24), 7037-7047, 198317401983
3-) The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forcesG Fogarasi, X Zhou, PW Taylor, P PulayJournal of the American Chemical Society 114 (21), 8191-8201, 199210511992
4-) Force field, dipole moment derivatives, and vibronic constants of benzene from a combination of experimental and ab initio quantum chemical informationP Pulay, G Fogarasi, JE BoggsThe Journal of Chemical Physics 74 (7), 3999-4014, 19815291981
5-) Ab initio calculation of force fields and vibrational spectraG Fogarasi, P PulayVibrational spectra and structure 14, 125-219, 19855111985