Gábor Pongor

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

Péter Pulay, Géza Fogarasi, Gábor Pongor et al. · Journal of the American Chemical Society · 1983 · 1.5K citations

Engineering, Physics, Physicochemical Analysis +13

Theoretical prediction of vibrational spectra. 1. The in-plane force field and vibrational spectra of pyridine

Gábor Pongor, Péter Pulay, Géza Fogarasi et al. · Journal of the American Chemical Society · 1984 · 135 citations

Engineering, Computational Chemistry, In-plane Force Field +16

Vibrational analysis of 2-nitrophenol. A joint FT-IR, FT-Raman and scaled quantum mechanical study

Attila Kovács, V. P. Izvekov, G. Keresztury et al. · Chemical Physics · 1998 · 86 citations

Natural Sciences, Spectroscopy, Vibrational Analysis +8

Harmonic force field: An approximate relationship between the exact nonrelativistic and the Hartree–Fock limit values of the force constants

Yu. N. Panchenko, Charles W. Bock, Gábor Pongor · The Journal of Chemical Physics · 1991 · 74 citations

Engineering, Computational Chemistry, Chemistry +17

Extension of the density functional derived scaled quantum mechanical force field procedure

Ferenc Kalincsák, Gábor Pongor · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 2002 · 60 citations

Quantum Dynamic, Quantum Science, Engineering +7