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| 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 | 653 | 2003 |
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| Methods for optimizing large molecules. II. Quadratic search Ö Farkas, HB Schlegel The Journal of Chemical Physics 111 (24), 10806-10814, 1999 | 191 | 1999 |
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| 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 | 146 | 2002 |
| 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 | 142 | 2002 |
| 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 | 118 | 2020 |
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| 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 | 80 | 1998 |
| 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 | 78 | 1997 |
| 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 | 72 | 2003 |
| 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 | 62* | 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 | 60 | 2002 |
| 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 | 59 | 1996 |
