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Linear photoabsorption spectra and vertical excitation energies of microsolvated DNA nucleobases in aqueous solution

M. Pola, M. Kochman, A. Picchiotti, V. Prokhorenko, R. J. D. Miller, M. Thorwart

Journal of Theoretical and Computational Chemistry 16 (4), 1750028 (2017)

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Ab initio Modelling of Plasmons in Metal-semiconductor Bilayer Transition-metal Dichalcogenide Heterostructures

H. S. Sen, L. Xian, F. da Jornada, S. G. Louie, A. Rubio

Israel Journal of Chemistry 57 (6), 540–546 (2017)

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Coherent ultrafast lattice-directed reaction dynamics of triiodide anion photodissociation

R. Xian, G. Corthey, D. M. Rogers, C. A. Morrison, V. Prokhorenko, S. A. Hayes, R. J. D. Miller

Nature Chemistry 9 (6), 516–522 (2017)

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A three operator split-step method covering a larger set of non-linear partial differential equations

H. Zia

Communications in Nonlinear Science and Numerical Simulation 47, 277–291 (2017)

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Nonlocally sensing the magnetic states of nanoscale antiferromagnets with an atomic spin sensor

S. Yan, L. Malavolti, J. A. J. Burgess, A. Droghetti, A. Rubio, S. Loth

Science Advances 3 (5), e1603137 (2017)

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Monodisperse Hexagonal Pyramidal and Bipyramidal Wurtzite CdSe-CdS Core–Shell Nanocrystals

R. Tan, Y. Yuan, Y. Nagaoka, D. Eggert, X. Wang, S. Thota, P. Guo∥, H. Yang, J. Zhao, O. Chen

Chemistry of Materials 29 (9), 4097–4108 (2017)

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Light-enhanced electron-phonon coupling from nonlinear electron-phonon coupling

M. A. Sentef

Physical Review B 95 (20), 205111 (2017)

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Ultrafast switching of composite order in A3C60

P. Werner, H. U. R. Strand, S. Hoshino, M. Eckstein

Physical Review B 95 (19), 195405 (2017)

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Atomic-scale sensing of the magnetic dipolar field from single atoms

T. Choi, W. Paul, S. Rolf-Pissarczyk, A. J. Macdonald, F. D. Natterer, K. Yang, P. Willke, C. P. Lutz, A. J. Heinrich

Nature Nanotechnology 12 (5), 420–424 (2017)

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The Primary Photochemistry of Vision Occurs at the Molecular Speed Limit

P. J. M. Johnson, M. Farag, A. Halpin, T. Morizumi, V. Prokhorenko, J. Knoester, T. L. C. Jansen, O. P. Ernst, R. J. D. Miller

The Journal of Physical Chemistry B 121 (16), 4040–4047 (2017)

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Strongly bound excitons in anatase TiO₂ single crystals and nanoparticles

E. Baldini, L. Chiodo, A. Dominguez, M. Palummo, S. Moser, M. Yazdi-Rizi, G. Auböck, B. P. P. Mallett, H. Berger, A. Magrez, C. Bernhard, M. Grioni, A. Rubio, M. Chergui

Nature Communications 8, 13 (2017)

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Compression of high-density 0.16 pC electron bunches through high field gradients for ultrafast single shot electron diffraction: The Compact RF Gun

H. Daoud, K. Floettmann, R. J. D. Miller

Structural Dynamics 4 (4), 044016 (2017)

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Time-Dependent Extension of the Long-Range Corrected Density Functional Based Tight-Binding Method

J. J. Kranz, M. Elstner, B. Aradi, T. Frauenheim, V. Lutsker, A. Domínguez García, T. A. Niehaus

Journal of Chemical Theory and Computation 13 (4), 1737–1747 (2017)

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Study on laser characteristics of Ho:YLF regenerative amplifiers: Operation regimes, gain dynamics, and highly stable operation points

P. Krötz, A. Ruehl, A.-L. Calendron, G. Chatterjee, H. Cankaya, K. Murari, F. X. Kaertner, I. Hartl, R. J. D. Miller

Applied Physics B: Lasers and Optics 123 (4), 126 (2017)

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Low-dose fixed-target serial synchrotron crystallography

R. L. Owen, D. Axford, D. A. Sherrell, A. Kuo, O. P. Ernst, E.-C. Schulz, R. J. D. Miller, H. Müller-Werkmeister

Acta Crystallographica Section D: Structural Biology 73, 373–378 (2017)

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Structural Studies of Nicotinoids: Cotinine versus Nicotine

I. Uriarte, C. Pérez, E. Caballero‐Mancebo, F. J. Basterretxea, A. Lesarri, J. A. Fernández, E. J. Cocinero

Chemistry – A European Journal 23 (30), 7238–7244 (2017)

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Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective

E. Khosravi, A. Abedi, A. Rubio, N. T. Maitra

Physical Chemistry Chemical Physics 19 (12), 8269–8281 (2017)

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Charge transfer excitations from particle-particle random phase approximation—Opportunities and challenges arising from two-electron deficient systems

Y. Yang, A. Dominguez, D. Zhang, V. Lutsker, T. A. Niehaus, T. Frauenheim, W. Yang

The Journal of Chemical Physics 146 (12), 124104 (2017)

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Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT

P. Wopperer, U. De Giovannini, A. Rubio

European Physical Journal B 90 (3), 51 (2017)

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