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737 Publications
2017 | Journal Article | LibreCat-ID: 13242
@article{Ellerbrock_Manthe_2017, title={H+CH4→H2+CH3 Initial State-Selected Reaction Probabilities on Different Potential Energy Surfaces}, volume={482}, DOI={https://doi.org/10.1016/j.chemphys.2016.08.032}, journal={Chemical Physics}, author={Ellerbrock, Roman and Manthe, Uwe}, year={2017}, pages={106–112} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13276
@article{Rutkai_Köster_Guevara-Carrion_Janzen_Schappals_Glass_Bernreuther_Wafai_Stephan_Kohns_et al._2017, title={ms2: A Molecular Simulation Tool for Thermodynamic Properties, Release 3.0}, volume={221}, DOI={10.1016/j.cpc.2017.07.025}, journal={Computer Physics Communications}, author={Rutkai, Gábor and Köster, Andreas and Guevara-Carrion, Gabriela and Janzen, Tatjana and Schappals, Michael and Glass, Colin W. and Bernreuther, Martin and Wafai, Amer and Stephan, Simon and Kohns, Maximilian and et al.}, year={2017}, pages={343–351} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13277
@article{Köster_Mausbach_Vrabec_2017, title={Premelting, Solid-Fluid Equilibria, and Thermodynamic Properties in the High Density Region Based on the Lennard-Jones Potential}, volume={147}, DOI={10.1063/1.4990667}, number={14}, journal={The Journal of Chemical Physics}, author={Köster, Andreas and Mausbach, Peter and Vrabec, Jadran}, year={2017}, pages={144502} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13278
@article{Fingerhut_Chen_Schedemann_Cordes_Rarey_Hsieh_Vrabec_Lin_2017, title={Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria}, volume={56}, DOI={10.1021/acs.iecr.7b01360}, number={35}, journal={Industrial & Engineering Chemistry Research}, author={Fingerhut, Robin and Chen, Wei-Lin and Schedemann, Andre and Cordes, Wilfried and Rarey, Jürgen and Hsieh, Chieh-Ming and Vrabec, Jadran and Lin, Shiang-Tai}, year={2017}, pages={9868–9884} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13279
@article{Schappals_Mecklenfeld_Kröger_Botan_Köster_Stephan_García_Rutkai_Raabe_Klein_et al._2017, title={Round Robin Study: Molecular Simulation of Thermodynamic Properties from Models with Internal Degrees of Freedom}, volume={13}, DOI={10.1021/acs.jctc.7b00489}, number={9}, journal={Journal of Chemical Theory and Computation}, author={Schappals, Michael and Mecklenfeld, Andreas and Kröger, Leif and Botan, Vitalie and Köster, Andreas and Stephan, Simon and García, Edder J. and Rutkai, Gabor and Raabe, Gabriele and Klein, Peter and et al.}, year={2017}, pages={4270–4280} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13280
@article{Muñoz-Muñoz_Hsieh_Vrabec_2017, title={Understanding the Differing Fluid Phase Behavior of Cyclohexane + Benzene and Their Hydroxylated or Aminated Forms}, volume={121}, DOI={10.1021/acs.jpcb.7b02494}, number={21}, journal={The Journal of Physical Chemistry B}, author={Muñoz-Muñoz, Y. Mauricio and Hsieh, Chieh-Ming and Vrabec, Jadran}, year={2017}, pages={5374–5384} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13281
@article{Rutkai_Thol_Span_Vrabec_2017, title={How Well Does the Lennard-Jones Potential Represent the Thermodynamic Properties of Noble Gases?}, volume={115}, DOI={10.1080/00268976.2016.1246760}, number={9–12}, journal={Molecular Physics}, publisher={Taylor & Francis}, author={Rutkai, Gábor and Thol, Monika and Span, Roland and Vrabec, Jadran}, year={2017}, pages={1104–1121} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13290
@article{Bouldi_Vollmers_Delpy-Laplanche_Joly_Juhin_Sainctavit_Brouder_Calandra_Paulatto_Mauri_et al._2017, title={X-Ray Magnetic and Natural Circular Dichroism from First Principles: Calculation of K- and L1-Edge Spectra}, volume={96}, DOI={10.1103/physrevb.96.085123}, number={8}, journal={Physical Review B}, publisher={American Physical Society}, author={Bouldi, N. and Vollmers, N. J. and Delpy-Laplanche, C. G. and Joly, Y. and Juhin, A. and Sainctavit, Ph. and Brouder, Ch. and Calandra, M. and Paulatto, L. and Mauri, F. and et al.}, year={2017}, pages={085123} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13353
@article{Lewandowski_Luk_Chan_Leung_Kwong_Binder_Schumacher_2017, title={Directional optical switching and transistor functionality using optical parametric oscillation in a spinor polariton fluid}, volume={25}, DOI={10.1364/oe.25.031056}, number={2531056}, journal={Optics Express}, author={Lewandowski, Przemyslaw and Luk, Samuel M. H. and Chan, Chris K. P. and Leung, P. T. and Kwong, N. H. and Binder, Rolf and Schumacher, Stefan}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13354
@article{Luk_Kwong_Lewandowski_Schumacher_Binder_2017, title={Optically Controlled Orbital Angular Momentum Generation in a Polaritonic Quantum Fluid}, volume={119}, DOI={10.1103/physrevlett.119.113903}, number={11}, journal={Physical Review Letters}, author={Luk, S. M. H. and Kwong, N. H. and Lewandowski, P. and Schumacher, Stefan and Binder, R.}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13360
@article{Wiebeler_Plasser_Hedley_Ruseckas_Samuel_Schumacher_2017, title={Ultrafast Electronic Energy Transfer in an Orthogonal Molecular Dyad}, DOI={10.1021/acs.jpclett.7b00089}, journal={The Journal of Physical Chemistry Letters}, author={Wiebeler, Christian and Plasser, Felix and Hedley, Gordon J. and Ruseckas, Arvydas and Samuel, Ifor D. W. and Schumacher, Stefan}, year={2017}, pages={1086–1092} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13361
@article{Lafont_Luk_Lewandowski_Kwong_Leung_Galopin_Lemaitre_Tignon_Schumacher_Baudin_et al._2017, title={Controlling the optical spin Hall effect with light}, DOI={10.1063/1.4975681}, number={061108}, journal={Applied Physics Letters}, author={Lafont, O. and Luk, S. M. H. and Lewandowski, P. and Kwong, N. H. and Leung, P. T. and Galopin, E. and Lemaitre, A. and Tignon, J. and Schumacher, Stefan and Baudin, E. and et al.}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13364
@article{Kwong_Tsang_Luk_Tse_Chan_Lewandowski_Leung_Schumacher_Binder_2017, title={Optical switching of polariton density patterns in a semiconductor microcavity}, DOI={10.1088/1402-4896/aa58f6}, number={034006}, journal={Physica Scripta}, author={Kwong, N H and Tsang, C Y and Luk, Samuel M H and Tse, Y C and Chan, Chris K P and Lewandowski, P and Leung, P T and Schumacher, Stefan and Binder, R}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13412
@article{Konieczna_Biller_Witte_Schmidt_Neuba_Wilhelm_2017, title={New pyridinium based ionic dyes for the hydrogen evolution reaction}, DOI={10.1016/j.tet.2017.11.053}, journal={Tetrahedron}, author={Konieczna, Dagny D. and Biller, Harry and Witte, Matthias and Schmidt, Wolf Gero and Neuba, Adam and Wilhelm, René}, year={2017}, pages={142–149} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13414
@article{Riefer_Schmidt_2017, title={Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn chalcogenides}, volume={96}, DOI={10.1103/physrevb.96.235206}, number={23}, journal={Physical Review B}, author={Riefer, A. and Schmidt, Wolf Gero}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13415
@article{Braun_Hogan_Chandola_Esser_Sanna_Schmidt_2017, title={Si(775)-Au atomic chains: Geometry, optical properties, and spin order}, volume={1}, DOI={10.1103/physrevmaterials.1.055002}, number={5}, journal={Physical Review Materials}, author={Braun, Christian and Hogan, Conor and Chandola, Sandhya and Esser, Norbert and Sanna, Simone and Schmidt, Wolf Gero}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13416 | 
@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Polaron optical absorption in congruent lithium niobate from time-dependent density-functional theory}, volume={1}, DOI={10.1103/PhysRevMaterials.1.054406}, number={5054406}, journal={Physical Review Materials}, publisher={American Physical Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno and Sanna, Simone}, year={2017} }
LibreCat
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| DOI
| WoS
2017 | Journal Article | LibreCat-ID: 13417
@article{Lücke_Gerstmann_Kühne_Schmidt_2017, title={Efficient PAW-based bond strength analysis for understanding the In/Si(111)(8 × 2) - (4 × 1) phase transition}, DOI={10.1002/jcc.24878}, journal={Journal of Computational Chemistry}, author={Lücke, Andreas and Gerstmann, Uwe and Kühne, Thomas D. and Schmidt, Wolf Gero}, year={2017}, pages={2276–2282} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13418
@article{Sanna_Schmidt_2017, title={LiNbO3 surfaces from a microscopic perspective}, DOI={10.1088/1361-648x/aa818d}, number={413001}, journal={Journal of Physics: Condensed Matter}, author={Sanna, Simone and Schmidt, Wolf Gero}, year={2017} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 13419
@article{Frigge_Hafke_Witte_Krenzer_Streubühr_Samad Syed_Mikšić Trontl_Avigo_Zhou_Ligges_et al._2017, title={Optically excited structural transition in atomic wires on surfaces at the quantum limit}, volume={544}, DOI={10.1038/nature21432}, journal={Nature}, author={Frigge, T. and Hafke, B. and Witte, T. and Krenzer, B. and Streubühr, C. and Samad Syed, A. and Mikšić Trontl, V. and Avigo, I. and Zhou, P. and Ligges, M. and et al.}, year={2017}, pages={207–211} }
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