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Odon Farkas
Odon Farkas
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Gaussian 09, revision D. 01
M Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., Wallingford CT, 2009
645132009
Gaussian 09, rev
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian Inc, Wallingford, 2009
3998*2009
Revision B. Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Pittsburgh PA, 2003
1583*2003
Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints
T Vreven, K Morokuma, Ö Farkas, HB Schlegel, MJ Frisch
Journal of computational chemistry 24 (6), 760-769, 2003
6602003
Gaussian 09, revision a. 02; gaussian, inc: Wallingford, ct, 2009
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Google Scholar There is no corresponding record for this reference, 2015
5152015
Gaussian 09, version D. 01; Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Wallingford, CT, 2009
4522009
Gaussian 03, revision C. 02; Gaussian, Inc.: Wallingford, CT, 2004
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Google Scholar There is no corresponding record for this reference, 2013
2352013
Gaussian 09. 2009, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc.: Wallingford, Ct, USA 542, 1990
2311990
Methods for optimizing large molecules. II. Quadratic search
Ö Farkas, HB Schlegel
The Journal of Chemical Physics 111 (24), 10806-10814, 1999
1921999
Gaussian, Inc
GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ...
Wallingford CT, 2009
1762009
Methods for optimizing large molecules. Part III. An improved algorithm for geometry optimization using direct inversion in the iterative subspace (GDIIS)
Ö Farkas, HB Schlegel
Physical Chemistry Chemical Physics 4 (1), 11-15, 2002
1482002
Effects of the protein environment on the structure and energetics of active sites of metalloenzymes. ONIOM study of methane monooxygenase and ribonucleotide reductase
M Torrent, T Vreven, DG Musaev, K Morokuma, Ö Farkas, HB Schlegel
Journal of the American Chemical Society 124 (2), 192-193, 2002
1432002
Gaussian 09 (Gaussian, Inc., Wallingford, CT, 2009)
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Google Scholar There is no corresponding record for this reference, 2020
1192020
Foresman, JV Ortiz, J. Cioslowski, and DJ Fox
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian 09 Revision C 1, 2009
1142009
Methods for geometry optimization of large molecules. I. An algorithm for solving systems of linear equations for the transformation of coordinates and forces
Ö Farkas, HB Schlegel
The Journal of chemical physics 109 (17), 7100-7104, 1998
801998
Peptide models XV. The effect of basis set size increase and electron correlation on selected minima of the ab initio 2D-Ramachandran map of For-Gly-NH2 and For-l-Ala-NH2
G Endredi, A Perczel, O Farkas, MA McAllister, GI Csonka, J Ladik, ...
Journal of Molecular Structure: THEOCHEM 391 (1-2), 15-26, 1997
791997
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 …
A Perczel, Ö Farkas, I Jákli, IA Topol, IG Csizmadia
Journal of computational chemistry 24 (9), 1026-1042, 2003
722003
Peptide models XIX: Side-chain conformational energy surface E= ƒ (χ1, χ2) and amide I vibrational frequencies of N-formyl-l-phenylalaninamide (For-Phe-NH2) in its γL or γinv …
Ö Farkas, MA McAllister, JH Ma, A Perczel, M Hollósi, IG Csizmadia
Journal of Molecular Structure: THEOCHEM 369 (1-3), 105-114, 1996
63*1996
Toward a computed peptide structure database: The role of a universal atomic numbering system of amino acids in peptides and internal hierarchy of database
GA Chass, MA Sahai, JMS Law, S Lovas, Ö Farkas, A Perczel, JL Rivail, ...
International journal of quantum chemistry 90 (2), 933-968, 2002
602002
Peptide Models. 18. Hydroxymethyl Side-Chain Induced Backbone Conformational Shifts of l-Serine Amide. All ab Initio Conformers of For-l-Ser-NH2
A Perczel, Ö Farkas, IG Csizmadia
Journal of the American Chemical Society 118 (33), 7809-7817, 1996
601996
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