Fogarasi, Géza

List of Conferences, 2008-2012

K1. Géza Fogarasi: Tautomerism in Small Molecules Modelling Nucleobases, Seventh European Conference on Computational Chemistry, Venezia, 11 – 15 Sept., 2008.

K2. Géza Fogarasi: Quantum Chemical Studies on Tautomerism: Structure of Isomers and Dynamics of Proton Transfer, Central European Symposium on Theor. Chem., Hejnice, Czech Rep., Sept 28 – Oct. 1., 2008.

K3. Attila Tajti, Géza Fogarasi and Péter G. Szalay: Theoretical calculation of the UV spectrum of cytosine, 13th International Congress of Quantum Chemistry (ICQC13), Helsinki, 22-27 June, 2009. Program and Abstracts, Univ. Helsinki.

K4. Géza Fogarasi: Water as a Catalyst :Intramolecular Proton Transfer in Small Molecules, Satellite Conf. to ICQC13: Materials Oriented Modelling - Catalysis and Interactions in Solid and Condensed Phases, Stockholm, Sweden on 28 June - 1 July, 2009.

K5. Geza Fogarasi:  Studies on tautomerism: Energies and Dynamics, Central European Symposium on Theoretical Chemistry (CEST-2009), Dobogókő, Hungary, September 25-28, 2009, 2009

K6. Gábor Bazsó, Géza Fogarasi, Péter G. Szalay, György Tarczay: The elusive question of tautomerism in cytosine: quantum chemical and matrix isolation spectroscopic investigations, Isolated Biomolecules and Biomolecular Interactions, Fritz-Haber-Inst., Max Planck-Gesellschaft, 12-17 June 2010, Berlin, Germany. Program and Abstracts,p. 76 (2010)., 2010.

K7. G. Fogarasi, P.G. Szalay, G. Bazso, Gy. Tarczay : New Questions about Tautomerism in Cytosine, Fall 2010 National Meeting & Exposition of the American Chemical Society, Boston, Massachusetts, USA.

K8 . Fogarasi Géza: Izomer átalakulások és konformációs változások kvantumkémiai vizsgálata biomolekulákban. (Hungarian). Szervetlen és Fémorganikus Kémiai, Anyag- és Molekulaszerkezeti Munkabizottságok Ülése, Eger-Demjén, 2011. márc. 24-26.

K9. Fogarasi, G.: Intramolecular Proton Transfer In Biomolecules As Investigated By Quantum Chemistry And Molecular Dynamics, Ninth Triennial Congress of the WORLD ASSOCIATION OF THEORETICAL AND COMPUTATIONAL CHEMISTS, WATOC 2011, Santiago de Compostella, Spain, 17-22 July, 2011.

K10. Géza Fogarasi and Péter G. Szalay: Hydrates of Cytosine: Results of MP2 and Coupled Clusters Computations. XIVth International Congress of Quantum Chemistry ,Boulder, Colorado. June 25 - June 30, 2012.

List of Papers, OTKA Project 2008-2012

F1. Fogarasi, G.:  Water-mediated tautomerization of cytosine to the rare imino form: An ab initio dynamics study, Chem. Phys., 349, 204-209 ( 2008). IF: 1.90, CIT: 7.

F2. Tajti, A., Fogarasi, G., Szalay, P.G.: Reinterpretation of the UV Spectrum of Cytosine: Only Two Electronic Transitions?, ChemPhysChem, 9-10, 1603-1606 ( 2009). IF: 3.45, CIT: 6.

F3. Pongor, G., Eőri, J., Rohonczy, J., Kolos, Zs.: Direct inversion in the spectral sub space: A novel method for quantitative and qualitative analysis of chemical mixtures, J. Math. Chem. 47, 1085-1105 (2010). IF: 1.30, CIT: 1.

F4. Fogarasi, G.: Studies on tautomerism: Benchmark quantum chemical calculations on formamide and formamidine, J. Mol. Struct., 978, 257-262 (2010). IF: 1.62, CIT: 2.

F5. Garcia, G ; Navarro, A; Granadino-Roldan, JM; Garzon, A ; Ruiz, TP; Fernandez-Liencres, MP ; Melguizo, M ; Penas, A; Pongor, G; Eori, J ; Fernandez-Gomez, M: Molecular structure, conformational preferences and vibrational analysis of 2-hydroxystyrene: A computational and spectroscopic research, Chem. Phys., 374 ,  62-76,  2010. IF: 1.90, CIT: 0.

F6. Bazso, G., Tarczay, Gy., Fogarasi, G., Szalay, P.G.: Tautomers of cytosine and their excited electronic states: a matrix isolation spectroscopic and quantum chemical study,  Phys. Chem. Chem. Phys., 13 , 6799-6807 (2011). IF: 3.70 , CIT: 5.

F7. Szalay, P.G., T. Watson, T., Ajith Perera, Victor Lotrich, Géza Fogarasi, and Rodney J. Bartlett: Benchmark studies on the building blocks of DNA: II. Effect of biological environment on the electronic excitation spectrum of nucleobases, J. Phys. Chem. A., közlésre elfogadva (2012). IF: 2.95, CIT: -