Marx D - Search Results

1

Formation of weakly bound, ordered adlayers of CO on rutile TiO2(110): a combined experimental and theoretical study.

Kunat M, Traeger F, Silber D, Qiu H, Wang Y, van Veen AC, Wöll Ch, Kowalski PM, Meyer B, Hättig C, Marx D. Kunat M, et al. Among authors: marx d. J Chem Phys. 2009 Apr 14;130(14):144703. doi: 10.1063/1.3098318. J Chem Phys. 2009. PMID: 19368461

2

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

3

Partial dissociation of water leads to stable superstructures on the surface of zinc oxide.

Meyer B, Marx D, Dulub O, Diebold U, Kunat M, Langenberg D, Wöll C. Meyer B, et al. Among authors: marx d. Angew Chem Int Ed Engl. 2004 Dec 10;43(48):6642-5. doi: 10.1002/anie.200461696. Angew Chem Int Ed Engl. 2004. PMID: 15593168 No abstract available.

4

Understanding hydrogen scrambling and infrared spectrum of bare CH5+ based on ab initio simulations.

Kumar P P, Marx D. Kumar P P, et al. Among authors: marx d. Phys Chem Chem Phys. 2006 Feb 7;8(5):573-86. doi: 10.1039/b513089c. Epub 2005 Dec 2. Phys Chem Chem Phys. 2006. PMID: 16482299

5

Water adsorption on ZnO(1010): from single molecules to partially dissociated monolayers.

Meyer B, Rabaa H, Marx D. Meyer B, et al. Among authors: marx d. Phys Chem Chem Phys. 2006 Apr 7;8(13):1513-20. doi: 10.1039/b515604a. Epub 2006 Jan 18. Phys Chem Chem Phys. 2006. PMID: 16633635

6

F centers versus dimer vacancies on ZnO surfaces: characterization by STM and STS calculations.

Kovácik R, Meyer B, Marx D. Kovácik R, et al. Among authors: marx d. Angew Chem Int Ed Engl. 2007;46(26):4894-7. doi: 10.1002/anie.200604399. Angew Chem Int Ed Engl. 2007. PMID: 17523200 No abstract available.

7

Methanol synthesis on ZnO(0001). I. Hydrogen coverage, charge state of oxygen vacancies, and chemical reactivity.

Kiss J, Witt A, Meyer B, Marx D. Kiss J, et al. Among authors: marx d. J Chem Phys. 2009 May 14;130(18):184706. doi: 10.1063/1.3126682. J Chem Phys. 2009. PMID: 19449942

8

On the applicability of centroid and ring polymer path integral molecular dynamics for vibrational spectroscopy.

Witt A, Ivanov SD, Shiga M, Forbert H, Marx D. Witt A, et al. Among authors: marx d. J Chem Phys. 2009 May 21;130(19):194510. doi: 10.1063/1.3125009. J Chem Phys. 2009. PMID: 19466846

9

Communications: On artificial frequency shifts in infrared spectra obtained from centroid molecular dynamics: Quantum liquid water.

Ivanov SD, Witt A, Shiga M, Marx D. Ivanov SD, et al. Among authors: marx d. J Chem Phys. 2010 Jan 21;132(3):031101. doi: 10.1063/1.3290958. J Chem Phys. 2010. PMID: 20095719

10

Glycine in aqueous solution: solvation shells, interfacial water, and vibrational spectroscopy from ab initio molecular dynamics.

Sun J, Bousquet D, Forbert H, Marx D. Sun J, et al. Among authors: marx d. J Chem Phys. 2010 Sep 21;133(11):114508. doi: 10.1063/1.3481576. J Chem Phys. 2010. PMID: 20866146

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