Marx D - Search Results

1

Folding and unfolding of an elastinlike oligopeptide: "inverse temperature transition," reentrance, and hydrogen-bond dynamics.

Schreiner E, Nicolini C, Ludolph B, Ravindra R, Otte N, Kohlmeyer A, Rousseau R, Winter R, Marx D. Schreiner E, et al. Among authors: marx d. Phys Rev Lett. 2004 Apr 9;92(14):148101. doi: 10.1103/PhysRevLett.92.148101. Epub 2004 Apr 7. Phys Rev Lett. 2004. PMID: 15089575

2

Exploring the electronic structure of elemental lithium: from small molecules to nanoclusters, bulk metal, and surfaces.

Rousseau R, Marx D. Rousseau R, et al. Among authors: marx d. Chemistry. 2000 Aug 18;6(16):2982-93. doi: 10.1002/1521-3765(20000818)6:16<2982::aid-chem2982>3.0.co;2-s. Chemistry. 2000. PMID: 10993259

3

Nonadiabatic Car-Parrinello molecular dynamics.

Doltsinis NL, Marx D. Doltsinis NL, et al. Among authors: marx d. Phys Rev Lett. 2002 Apr 22;88(16):166402. doi: 10.1103/PhysRevLett.88.166402. Epub 2002 Apr 3. Phys Rev Lett. 2002. PMID: 11955242

4

Pulling monatomic gold wires with single molecules: an Ab initio simulation.

Krüger D, Fuchs H, Rousseau R, Marx D, Parrinello M. Krüger D, et al. Among authors: marx d. Phys Rev Lett. 2002 Oct 28;89(18):186402. doi: 10.1103/PhysRevLett.89.186402. Epub 2002 Oct 10. Phys Rev Lett. 2002. PMID: 12398622

5

Fast anomalous diffusion of small hydrophobic species in water.

Kirchner B, Stubbs J, Marx D. Kirchner B, et al. Among authors: marx d. Phys Rev Lett. 2002 Nov 18;89(21):215901. doi: 10.1103/PhysRevLett.89.215901. Epub 2002 Nov 4. Phys Rev Lett. 2002. PMID: 12443432

6

Stabilization of polar ZnO surfaces: validating microscopic models by using CO as a probe molecule.

Staemmler V, Fink K, Meyer B, Marx D, Kunat M, Gil Girol S, Burghaus U, Wöll Ch. Staemmler V, et al. Among authors: marx d. Phys Rev Lett. 2003 Mar 14;90(10):106102. doi: 10.1103/PhysRevLett.90.106102. Epub 2003 Mar 12. Phys Rev Lett. 2003. PMID: 12689012

7

Towards "mechanochemistry": mechanically induced isomerizations of thiolate-gold clusters.

Krüger D, Rousseau R, Fuchs H, Marx D. Krüger D, et al. Among authors: marx d. Angew Chem Int Ed Engl. 2003 May 25;42(20):2251-3. doi: 10.1002/anie.200351000. Angew Chem Int Ed Engl. 2003. PMID: 12772154 No abstract available.

8

Temperature-dependent conformational transitions and hydrogen-bond dynamics of the elastin-like octapeptide GVG(VPGVG): a molecular-dynamics study.

Rousseau R, Schreiner E, Kohlmeyer A, Marx D. Rousseau R, et al. Among authors: marx d. Biophys J. 2004 Mar;86(3):1393-407. doi: 10.1016/S0006-3495(04)74210-1. Biophys J. 2004. PMID: 14990469 Free PMC article.

9

Quantum and thermal fluctuation effects on the photoabsorption spectra of clusters.

Della Sala F, Rousseau R, Görling A, Marx D. Della Sala F, et al. Among authors: marx d. Phys Rev Lett. 2004 May 7;92(18):183401. doi: 10.1103/PhysRevLett.92.183401. Epub 2004 May 7. Phys Rev Lett. 2004. PMID: 15169488

10

Assigning protonation patterns in water networks in bacteriorhodopsin based on computed IR spectra.

Rousseau R, Kleinschmidt V, Schmitt UW, Marx D. Rousseau R, et al. Among authors: marx d. Angew Chem Int Ed Engl. 2004 Sep 13;43(36):4804-7. doi: 10.1002/anie.200453857. Angew Chem Int Ed Engl. 2004. PMID: 15366093 No abstract available.

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