⇦ Ab initio description of molecular interactions and substituent effects

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http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Walter, M. ; Vogel, M. ; Zamudio-Bayer, V. ; Lindblad, R. ; Reichenbach, T. ; Hirsch, K. ; Langenberg, A. ; Rittmann, J. ; Kulesza, A. ; Mitrić, R. ; Moseler, M. ; Möller, T. ; von Issendorff, B. ; Lau, J. T.
Experimental and theoretical 2p core-level spectra of size-selected gas-phase aluminum and silicon cluster cations: chemical shifts, geometric structure, and coordination-dependent screening
Physical chemistry, chemical physics 21(12), 6651 - 6661 (2019) [10.1039/C8CP07169A]2019 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Brügner, O. ; Walter, M.
Temperature and loading rate dependent rupture forces from universal paths in mechanochemistry
Physical review materials 2(11), 113603 (2018) [10.1103/PhysRevMaterials.2.113603]2018 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Würdemann, R. ; Walter, M.
Charge Transfer Excitations with Range Separated Functionals Using Improved Virtual Orbitals
Journal of chemical theory and computation 14(7), 3667 - 3676 (2018) [10.1021/acs.jctc.8b00238]2018 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Badorrek, J. ; Walter, M. ; Laborie, M.-P.
Tuning Intermolecular Interaction Between Lignin and Carbon Nanotubes in Fiber Composites – A Combined Experimental and Ab-Initio Modeling Study
Journal of renewable materials (2018) [10.7569/JRM.2017.634183]2018 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Kempe, F. ; Brügner, O. ; Buchheit, H. ; Momm, S. N. ; Riehle, F. ; Hameury, S. ; Walter, M. ; Sommer, M.
A Simply Synthesized, Tough Polyarylene with Transient Mechanochromic Response
Angewandte Chemie / International edition International edition 57(4), 997 - 1000 (2018) [10.1002/anie.201709142]2018 BibTeX | EndNote: XML, Text | RIS

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Journal Article Cui, K. ; Mali, K. S. ; Wu, D. ; Feng, X. ; Müllen, K. ; Walter, M. ; De Feyter, S. ; Mertens, S. F. L.
Reversible Anion-Driven Switching of an Organic 2D Crystal at a Solid-Liquid Interface
Small 13(46), 1702379 - (2017) [10.1002/smll.201702379]2017 BibTeX | EndNote: XML, Text | RIS

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