Váltás magyarra (Change to Hungarian).
IT in chemistry (Fall, 2004):
Using the web and applications for retreiving information.
Seminar (Spring, 2005):
Quantum chemical molecular modeling in practice.
database with 3D coordinates
Date of Birth: March 13, 1966. Place of Birth: Zalaszentgrót, Hungary.Education: M.Sc.: Eötvös Loránd University (ELTE) (1989); Ph.D. (C.Sc.): ELTE and Hungarian Academy of Sciences (MTA) (1996). Academic Positions: ELTE, Department of Organic Chemistry, Assistant Professor (1989-1990), Graduate fellowships (ELTE, 1990-1995), Research Assistant (ELTE, 1995-1996), Research Associate with Prof. H. B. Schlegel at Wayne State University, Detroit, MI (1996-1998), Research Associate with Prof. Árpád Kucsman at ELTE (1998-2001). Honours: Eötvös Fellowship (1995, 1996), János Bolyai Research Scholarship and OTKA Postdoctoral Fellowship (1998-2001)
Symmetry of Molecules (1990-1991), lecturer (taking over the course of the late Prof. M. Kajtár), Molecular Modeling Practice (1991-1993), supervisor; Analysis of Dynamic Molecular Shape with Topological Methods (1991), tutor in the course of Prof. P. Mezey; Modeling of Reaction Mechanisms (1992), tutor in the course of Prof. P. Mezey; Quantum Mechanics of Organic Molecules (1993), tutor in the course of Prof. I. G. Csizmadia
Research Activities and Interest:
Coordinate systems and optimization methods for modeling large molecules
Numerical methods and program development in the field of geometry optimization
Conformational analysis by computational methods
Conformational analysis by chiroptical methods
Distance geometry problems in chemical structure determination
Application of theoretical methods for solving problems of chemical interests
List of publications
Five Selected Publications:
A. Csámpai and Ö.
"The effect of conformational equilibrium on rate of reactions involving neighbouring group particpation" Tetrahedron 48, 1507 (1992)
I. Pallagi, A. Toró and
"The mechanism of the Gibbs reaction. Part 2: Indophenol formation via Radical Electrophilic Aromatic Substitution (SREAr) on phenols" J. Org. Chem. 59, 6543 (1994)
Ö. Farkas and H. B. Schlegel:
"Methods for optimizing large molecules. I. An O(N2) algorithm for solving systems of linear equations for coordinate transformations in quantum chemical geometry optimization" J. Chem. Phys. 109, 1700-1704 (1998)
Andrew D. Daniels, Gustavo E.
Scuseria, Ö. Farkas and H. B. Schlegel:
"Geometry optimization of kringle 1 of plasminogen using the PM3 semiempirical method" J. Chem. Phys. accepted (1999)
Ö. Farkas and H. B.
"Methods for optimizing large molecules. II. Quadratic search" J. Chem. Phys. 111, 10806 (1999)
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