Ödön Farkas

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2003

4 EE Thom Vreven, Keiji Morokuma, Ödön Farkas, H. Bernhard Schlegel, Michael J. Frisch: Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. Journal of Computational Chemistry 24(6): 760-769 (2003)

3 EE András Perczel, Ödön Farkas, Imre Jákli, Igor A. Topol, Imre G. Csizmadia: Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory. Journal of Computational Chemistry 24(9): 1026-1042 (2003)

2000

2 EE Imre Jákli, András Perczel, Ödön Farkas, Attila G. Császár, Carlos P. Sosa, Imre G. Csizmadia: Peptide models XXIII. Conformational model for polar side-chain containing amino acid residues: A comprehensive analysis of RHF, DFT, and MP2 properties of HCO-L-SER-NH2 . Journal of Computational Chemistry 21(8): 626-655 (2000)

1996

1 EE András Perczel, Ödön Farkas, Imre G. Csizmadia: Peptide models XVI. The identification of selected HCO - L - SER - NH2 conformers via a systematic grid search using ab initio potential energy surfaces. Journal of Computational Chemistry 17(7): 821-834 (1996)

2003
4	EE	Thom Vreven, Keiji Morokuma, Ödön Farkas, H. Bernhard Schlegel, Michael J. Frisch: Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints. Journal of Computational Chemistry 24(6): 760-769 (2003)
3	EE	András Perczel, Ödön Farkas, Imre Jákli, Igor A. Topol, Imre G. Csizmadia: Peptide models. XXXIII. Extrapolation of low-level Hartree-Fock data of peptide conformation to large basis set SCF, MP2, DFT, and CCSD(T) results. The Ramachandran surface of alanine dipeptide computed at various levels of theory. Journal of Computational Chemistry 24(9): 1026-1042 (2003)
2000
2	EE	Imre Jákli, András Perczel, Ödön Farkas, Attila G. Császár, Carlos P. Sosa, Imre G. Csizmadia: Peptide models XXIII. Conformational model for polar side-chain containing amino acid residues: A comprehensive analysis of RHF, DFT, and MP2 properties of HCO-L-SER-NH2 . Journal of Computational Chemistry 21(8): 626-655 (2000)
1996
1	EE	András Perczel, Ödön Farkas, Imre G. Csizmadia: Peptide models XVI. The identification of selected HCO - L - SER - NH2 conformers via a systematic grid search using ab initio potential energy surfaces. Journal of Computational Chemistry 17(7): 821-834 (1996)

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