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List of Publications





The most recent publications:

  • Smeets, Egidius W.F. and Füchsel, Gernot and Kroes, Geert-Jan: Quantum Dynamics of Dissociative Chemisorption of H2 on the Stepped Cu(211) Surface, The Journal of Physical Chemistry C (2019) DOI: 10.1021/acs.jpcc.9b06539
  • Stemmle, Christian and Paulus, Beate: Quantification of electron correlation effects: Quantum Information Theory vs Method of Increments, International Journal of Quantum Chemistry 119, e26007 (2019) DOI: 10.1002/qua.26007
  • Rietsch, Philipp and Witte, Felix and Sobottka, Sebastian and Germer, Gregor and Becker, Alexander and Güttler, Arne and Sarkar, Biprajit and Paulus, Beate and Resch-Genger, Ute and Eigler, Siegfried: Diaminodicyanoquinones: Fluorescent Dyes with High Dipole Moments and Electron-Acceptor Properties, Angewandte Chemie International Edition 58, 8235-8239 (2019) DOI: 10.1002/anie.201903204
  • Jia, Fei and Hupatz, Henrik and Yang, Liu-Pan and Schröder, Hendrik V. and Li, Dong-Hao and Xin, Shan and Lentz, Dieter and Witte, Felix and Xie, Xiaojiang and Paulus, Beate and Schalley, Christoph A. and Jiang, Wei: Naphthocage: A Flexible yet Extremely Strong Binder for Singly Charged Organic Cations, Journal of the American Chemical Society 141, 4468-4473 (2019) DOI: 10.1021/jacs.9b00445
  • Guday, Guy and Donskyi, Ievgen S. and Gholami, Mohammad Fardin and Algara-Siller, Gerardo and Witte, Felix and Lippitz, Andreas and Unger, Wolfgang E. S. and Paulus, Beate and Rabe, Jürgen P. and Adeli, Mohsen and Haag, Rainer: Scalable Production of Nanographene and Doping via Nondestructive Covalent Functionalization, Small 15, 1805430 (2019) DOI: 10.1002/smll.201805430
  • Mattsson, Stefan and Paulus, Beate and Redeker, Frenio A. and Beckers, Helmut and Riedel, Sebastian and Müller, Carsten: The Crystal Structure of α-F2: Solving a 50 Year Old Puzzle Computationally, Chemistry – A European Journal 25, 3318-3324 (2019) DOI: 10.1002/chem.201805300
  • ChunMei Liu and Joern Manz and Jean Christophe Tremblay: From Symmetry Breaking via Charge Migration to Symmetry Restoration in Electronic Ground and Excited States: Quantum Control on the Attosecond Time Scale, Applied Sciences 9, 953 (2019) DOI: 10.3390/app9050953
  • T. Serwatka and B. Paulus and J. C. Tremblay: A new six-dimensional potential energy surface for NO/Au(111), Molecular Physics 117, 42-57 (2019) DOI: 10.1080/00268976.2018.1492041
  • Mattsson, Stefan and Paulus, Beate: Density Functional Theory Calculations of Structural, Electronic, and Magnetic Properties of the 3d Metal Trifluorides MF3 (M = Ti-Ni) in the Solid State, Journal of Computational Chemistry 40, 1190-1197 (2019) DOI: 10.1002/jcc.25777
  • Voloshina, Elena and Guo, Qilin and Paulus, Beate and Böttcher, Stefan and Vita, Hendrik and Horn, Karsten and Zhao, Changbao and Cui, Yi and Dedkov, Yuriy: Electronic Structure and Magnetic Properties of Graphene/Ni3Mn/Ni(111) Trilayer, The Journal of Physical Chemistry C 123, 4994-5002 (2019) DOI: 10.1021/acs.jpcc.9b00942
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This page was last modified on October 10, 2019, at 02:13 PM