Doblhoff-Dier K - Search Results

1

Attosecond-recollision-controlled selective fragmentation of polyatomic molecules.

Xie X, Doblhoff-Dier K, Roither S, Schöffler MS, Kartashov D, Xu H, Rathje T, Paulus GG, Baltuška A, Gräfe S, Kitzler M. Xie X, et al. Phys Rev Lett. 2012 Dec 14;109(24):243001. doi: 10.1103/PhysRevLett.109.243001. Epub 2012 Dec 10. Phys Rev Lett. 2012. PMID: 23368312

2

Selective control over fragmentation reactions in polyatomic molecules using impulsive laser alignment.

Xie X, Doblhoff-Dier K, Xu H, Roither S, Schöffler MS, Kartashov D, Erattupuzha S, Rathje T, Paulus GG, Yamanouchi K, Baltuška A, Gräfe S, Kitzler M. Xie X, et al. Phys Rev Lett. 2014 Apr 25;112(16):163003. doi: 10.1103/PhysRevLett.112.163003. Epub 2014 Apr 25. Phys Rev Lett. 2014. PMID: 24815647 Free article.

3

Ultrafast electron diffraction imaging of bond breaking in di-ionized acetylene.

Wolter B, Pullen MG, Le AT, Baudisch M, Doblhoff-Dier K, Senftleben A, Hemmer M, Schröter CD, Ullrich J, Pfeifer T, Moshammer R, Gräfe S, Vendrell O, Lin CD, Biegert J. Wolter B, et al. Science. 2016 Oct 21;354(6310):308-312. doi: 10.1126/science.aah3429. Science. 2016. PMID: 27846561

4

Dielectric Decrement for Aqueous NaCl Solutions: Effect of Ionic Charge Scaling in Nonpolarizable Water Force Fields.

Seal S, Doblhoff-Dier K, Meyer J. Seal S, et al. J Phys Chem B. 2019 Nov 21;123(46):9912-9921. doi: 10.1021/acs.jpcb.9b07916. Epub 2019 Nov 7. J Phys Chem B. 2019. PMID: 31647235 Free PMC article.

5

Density Functional Theory for Molecule-Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not.

Gerrits N, Smeets EWF, Vuckovic S, Powell AD, Doblhoff-Dier K, Kroes GJ. Gerrits N, et al. Among authors: doblhoff dier k. J Phys Chem Lett. 2020 Dec 17;11(24):10552-10560. doi: 10.1021/acs.jpclett.0c02452. Epub 2020 Dec 9. J Phys Chem Lett. 2020. PMID: 33295770 Free PMC article.

6

Quantum Monte Carlo calculations on dissociative chemisorption of H₂ + Al(110): Minimum barrier heights and their comparison to DFT values.

Powell AD, Kroes GJ, Doblhoff-Dier K. Powell AD, et al. Among authors: doblhoff dier k. J Chem Phys. 2020 Dec 14;153(22):224701. doi: 10.1063/5.0022919. J Chem Phys. 2020. PMID: 33317284

7

Diffusion Monte Carlo for Accurate Dissociation Energies of 3d Transition Metal Containing Molecules.

Doblhoff-Dier K, Meyer J, Hoggan PE, Kroes GJ, Wagner LK. Doblhoff-Dier K, et al. J Chem Theory Comput. 2016 Jun 14;12(6):2583-97. doi: 10.1021/acs.jctc.6b00160. Epub 2016 Jun 2. J Chem Theory Comput. 2016. PMID: 27175914

8

Quantum Monte Carlo Calculations on a Benchmark Molecule-Metal Surface Reaction: H₂ + Cu(111).

Doblhoff-Dier K, Meyer J, Hoggan PE, Kroes GJ. Doblhoff-Dier K, et al. J Chem Theory Comput. 2017 Jul 11;13(7):3208-3219. doi: 10.1021/acs.jctc.7b00344. Epub 2017 Jun 9. J Chem Theory Comput. 2017. PMID: 28514594 Free PMC article.

9

Double-layer structure of the Pt(111)-aqueous electrolyte interface.

Ojha K, Doblhoff-Dier K, Koper MTM. Ojha K, et al. Among authors: doblhoff dier k. Proc Natl Acad Sci U S A. 2022 Jan 18;119(3):e2116016119. doi: 10.1073/pnas.2116016119. Proc Natl Acad Sci U S A. 2022. PMID: 35042778 Free PMC article.

10

Time-Resolved Local pH Measurements during CO₂ Reduction Using Scanning Electrochemical Microscopy: Buffering and Tip Effects.

Monteiro MCO, Mirabal A, Jacobse L, Doblhoff-Dier K, Barton SC, Koper MTM. Monteiro MCO, et al. Among authors: doblhoff dier k. JACS Au. 2021 Oct 13;1(11):1915-1924. doi: 10.1021/jacsau.1c00289. eCollection 2021 Nov 22. JACS Au. 2021. PMID: 34849509 Free PMC article.

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