Fogarasi, Géza

Address

Short CV:

Géza Fogarasi was born 1942 in Kolozsvár/Hungary. He studied chemistry at Eötvös University/Budapest (ELTE), where he obtained his Ph.D. in 1969. Since then he has been faculty member at the Departmental Group of Chemistry at ELTE, now reorganized to Institute of Chemistry. He was head of the Dept. of Theoretical Chemistry during its existence, 1985-2005. He spent longer research periods as postdoctoral fellow and later as visiting professor at several German and U.S. universities (Univ. Ulm/Germany; Univ. Texas/Austin, TX; Univ. Arkansas, Fayetteville/AR.)

Teaching:

General Chemistry

Computational Chemistry

Theoretical Chemistry

Spectroscopy

Research interest:

Theoretical Chemistry (Quantum Chemistry) and Vibrational Spectroscopy

Molecular Structural Studies by Theoretical Methods

Publications

70 papers, 3 book chapters. Independent citations from SCI: > 5000.

Selected Publications

1. Pulay, P., Fogarasi, G., Pang, F., and Boggs, J.E.: Systematic ab initio gradient calculation of molecular geometries, force constants and dipole-moment derivatives
J. Am. Chem. Soc. 101, 2550-2560 (1979). Cited: 1430

2. Pulay P, Fogarasi G, Pongor G, Boggs, J.E., and Vargha, A.: Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants – scaled quantum-mechanical (SQM) force fields for glyoxal, acrolein, butadiene, formaldehyde and ethylene, J. Am. Chem. Soc. 105 (24): 7037-7047 1983. Cited: 840

3. Fogarasi, G., and Császár, A.G.: Theoretical prediction of vibrational spectra. Scaled Quantum Mechanical (SQM) force field for fluorobenzene, Spectrochim. Acta, Part A, 44A, 1067-1077 (1988). Cited: 34

4. Fogarasi, G., Zhou, X., Taylor, P.W., and Pulay, P.: The calculation of ab initio molecular geometries: Efficient optimization by natural internal coordinates and empirical correction by offset forces, J. Am. Chem. Soc., 114, 8191-8201 (1992). Cited: 360

5. Fogarasi, G., and Szalay, P.G.: High level electron correlation calculations on formamide and the resonance model, J. Phys. Chem., 101, 1400-1408 (1997). Cited: 90

6. Fogarasi, G.: The Relative Stabilities of Three Low-Energy Tautomers of Cytosine: a Coupled Cluster Electron Correlation Study, J. Phys. Chem. A, 106, 1381-1390 (2002). Cited: 46

7. Pulay, P., Fogarasi, G.: Fock matrix dynamics, Chem. Phys. Lett., 386, 272-278 (2004). Cited: 19