Ödön Pártos

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Recent publications · Crossref

5 total works indexed

1. Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints

   · 2003 · cited 579x

2. Methods for optimizing large molecules. II. Quadratic search

   · 1999 · cited 161x

3. Methods for optimizing large molecules. Part III. An improved algorithm for geometry optimization using direct inversion in the iterative subspace (GDIIS)

   · 2002 · cited 120x

4. Effects of the Protein Environment on the Structure and Energetics of Active Sites of Metalloenzymes. ONIOM Study of Methane Monooxygenase and Ribonucleotide Reductase

   · 2001 · cited 113x

5. Methods for geometry optimization of large molecules. I. An O(N2) algorithm for solving systems of linear equations for the transformation of coordinates and forces

   · 1998 · cited 63x

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