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Physical Chemistry Chemical Physics : PCCP|August 11, 2007
Selectivity of guest-host interactions in self-assembled hydrogen-bonded nanostructures observed by NMRGunther Brunklaus, Achim Koch, Daniel Sebastiani, et al.The Journal of Physical Chemistry. A|April 8, 2017
Improved Quantum Chemical NMR Chemical Shift Prediction of Metabolites in Aqueous Solution toward the Validation of UnknownsFelix Hoffmann, Da-Wei Li, Daniel Sebastiani, et al.Journal of the American Chemical Society|March 24, 2009
Columnar packing motifs of functionalized perylene derivatives: local molecular order despite long-range disorderMichael Ryan Hansen, Robert Graf, Sivakumar Sekharan, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 24, 2010
Local disorder in hydrogen storage compounds: the case of lithium amide/imideGuillermo A Ludueña, Martin Wegner, Lars Bjålie, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|October 31, 2006
First principles and experimental 1H NMR signatures of solvated ions: The case of HCl(aq)Tatiana Murakhtina, Jasper Heuft, Evert Jan Meijer, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 20, 2015
Domain Analysis in Nanostructured Liquids: A Post-Molecular Dynamics Study at the Example of Ionic LiquidsMartin Brehm, Henry Weber, Martin Thomas, et al.Environmental Science & Technology|February 23, 2017
Glutathione Adduct Patterns of Michael-Acceptor CarbonylsChristian Slawik, Christiane Rickmeyer, Martin Brehm, et al.The Journal of Physical Chemistry. A|September 28, 2022
Conformer Weighting and Differently Sized Cluster Weighting for Nicotine and Its Phosphorus DerivativesShima Taherivardanjani, Jan Blasius, Martin Brehm, et al.Physical Chemistry Chemical Physics : PCCP|February 19, 2013
Computing vibrational spectra from ab initio molecular dynamicsMartin Thomas, Martin Brehm, Reinhold Fligg, et al.Physical Review Letters|November 5, 2004
Optimization of effective atom centered potentials for london dispersion forces in density functional theoryO Anatole von Lilienfeld, Ivano Tavernelli, Ursula Rothlisberger, et al.Pageof 15