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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 | 168 | 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 | 147 | 2002 |
Gaussian 98, revision A. 7; Gaussian, Inc GW Trucks, HB Schlegel, GE Scuseria, MA Robb, JR Cheeseman, ... Pittsburgh, PA, 1998 | 117 | 1998 |
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ed. Gaussian MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ... Inc: Pittsburgh, PA, 1998 | 98* | 1998 |
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