Fogarasi, Géza

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: 1593

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: 989

3. Fogarasi, G., and Pulay, P.: Ab Initio Vibrational Force Fields, Annu. Rev. Phys. Chem., 35, 191-213 (1984). Cited: 257

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: 480

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: 106

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: 61

7. Fogarasi, G.: Water-mediated tautomerization of cytosine to the rare imino form: An ab initio dynamics study, Chem. Phys., 349, 204-209 (2008). Cited: 7

8. Tajti, A., Fogarasi, G., Szalay, P.G.: Reinterpretation of the UV Spectrum of Cytosine: Only Two Electronic Transitions?, Chem. Phys. Chem., 10, 1603-1606 (2009). Cited: 6

9. Fogarasi, G.: Studies on tautomerism: Benchmark quantum chemical calculations on formamide and formamidine, J. Mol. Struct., 978, 257-262 (2010). Cited: 2

10. Bazso, G., Tarczay, Gy., Fogarasi, G., Szalay, P.G.: Tautomers of cytosine and their excited electronic states: a matrix isomation spectroscopic and quantum chemical study, Chem. Phys. Chem., 13, 6799-6807 (2011). Cited: 5