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Wissenschaftliche Publikationen des Departements für Chemie und Angewandte Biowissenschaften (D-CHAB)

Hier finden Sie tagesaktuell alle wissenschaftlichen Publikationen des Departements, sofern diese in peer-reviewten Zeitschriften bzw. in Medien publiziert sind, die in Scopus, der grössten Abstract und Indexing-Datenbank, erfasst sind. Publikationen werden angezeigt, sobald diese in Scopus erfasst sind, d.h. oft bereits zu dem Zeitpunkt der der Annahme des Manuskripts.

Möchten Sie nur die Publikationen eines der fünf Laboratorien /Institute sehen? Dann benutzen Sie das Auswahlmenü.

Denis G. Artiukhin , Christopher J. Stein , Markus Reiher , Johannes Neugebauer

Quantum Chemical Spin Densities for Radical Cations of Photosynthetic Pigment Models

(2017) Photochemistry and Photobiology, 93 (3) , pp. 815-833 .

Michel Suermann , Alexandra Pătru , Thomas J. Schmidt , Thomas J. Schmidt , Felix N. Büchi

High pressure polymer electrolyte water electrolysis: Test bench development and electrochemical analysis

(2017) International Journal of Hydrogen Energy, 42 (17) , pp. 12076-12086 . Cited 2 times

Sereina Riniker

Molecular Dynamics Fingerprints (MDFP): Machine Learning from MD Data to Predict Free-Energy Differences

(2017) Journal of Chemical Information and Modeling, 57 (4) , pp. 726-741 .

Tobias Binninger , Rhiyaad Mohamed , Alexandra Patru , Kay Waltar , Eike Gericke , Xenia Tuaev , Emiliana Fabbri , Pieter Levecque , Armin Hoell , Thomas J. Schmidt , Thomas J. Schmidt

Stabilization of Pt Nanoparticles Due to Electrochemical Transistor Switching of Oxide Support Conductivity

(2017) Chemistry of Materials, 29 (7) , pp. 2831-2843 . Cited 3 times

Sebastian Henning , Laura Kühn , Juan Herranz , Maarten Nachtegaal , René Hübner , Matthias Werheid , Alexander Eychmüller , Thomas J. Schmidt , Thomas J. Schmidt

Effect of Acid Washing on the Oxygen Reduction Reaction Activity of Pt-Cu Aerogel Catalysts

(2017) Electrochimica Acta, 233 , pp. 210-217 . Cited 1 times

Ravi Shankar , Matthias Ernst , P. K. Madhu , P. K. Madhu , Thomas Vosegaard , Niels Chr Nielsen , Anders B. Nielsen

A general theoretical description of the influence of isotropic chemical shift in dipolar recoupling experiments for solid-state NMR

(2017) Journal of Chemical Physics, 146 (13) .

Emma Oakton , Dmitry Lebedev , Mauro Povia , Daniel F. Abbott , Emiliana Fabbri , Alexey Fedorov , Maarten Nachtegaal , Christophe Copéret , Thomas J. Schmidt , Thomas J. Schmidt

IrO<inf>2</inf>-TiO<inf>2</inf>: A High-Surface-Area, Active, and Stable Electrocatalyst for the Oxygen Evolution Reaction

(2017) ACS Catalysis, 7 (4) , pp. 2346-2352 . Cited 3 times

Olga Nibel , Marta Bon , Michael L. Agiorgousis , Teodoro Laino , Lorenz Gubler , Thomas J. Schmidt , Thomas J. Schmidt

Unraveling the Interaction Mechanism between Amidoxime Groups and Vanadium Ions at Various pH Conditions

(2017) Journal of Physical Chemistry C, 121 (12) , pp. 6436-6445 . Cited 2 times

Annick Renevey , Sereina Riniker

Improved accuracy of hybrid atomistic/coarse-grained simulations using reparametrised interactions

(2017) Journal of Chemical Physics, 146 (12) . Cited 2 times

Denitsa Baykusheva , Hans Jakob Wörner

Comment on 'Time delays in molecular photoionization'

(2017) Journal of Physics B: Atomic, Molecular and Optical Physics, 50 (7) . Cited 2 times

Alain C. Vaucher , Markus Reiher

Steering Orbital Optimization out of Local Minima and Saddle Points Toward Lower Energy

(2017) Journal of Chemical Theory and Computation, 13 (3) , pp. 1219-1228 .

Sebastian Hartweg , Bruce L. Yoder , Gustavo A. Garcia , Laurent Nahon , Ruth Signorell

Size-Resolved Photoelectron Anisotropy of Gas Phase Water Clusters and Predictions for Liquid Water

(2017) Physical Review Letters, 118 (10) . Cited 3 times

Mehtap Oezaslan , Mehtap Oezaslan , Anne Kristin Herrmann , Matthias Werheid , Anatoly I. Frenkel , Maarten Nachtegaal , Carsten Dosche , Céline Laugier Bonnaud , Céline Laugier Bonnaud , Hale Ceren Yilmaz , Hale Ceren Yilmaz , Laura Kühn , Erhard Rhiel , Nikolai Gaponik , Alexander Eychmüller , Thomas Justus Schmidt , Thomas Justus Schmidt

Structural Analysis and Electrochemical Properties of Bimetallic Palladium–Platinum Aerogels Prepared by a Two-Step Gelation Process

(2017) ChemCatChem, 9 (5) , pp. 798-808 . Cited 2 times

Carolin Seuring , Joeri Verasdonck , Philippe Ringler , Riccardo Cadalbert , Henning Stahlberg , Anja Böckmann , Beat H. Meier , Roland Riek , Roland Riek

Amyloid Fibril Polymorphism: Almost Identical on the Atomic Level, Mesoscopically Very Different

(2017) Journal of Physical Chemistry B, 121 (8) , pp. 1783-1792 . Cited 2 times

Marielle Aulikki Wälti , Julien Orts , Roland Riek

Quenched hydrogen-deuterium exchange NMR of a disease-relevant Aß(1-42) amyloid polymorph

(2017) PLoS ONE, 12 (3) . Cited 1 times

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