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Scientific Publications of the Department of Chemistry and Applied Biosciences (D-CHAB)

This page shows a live feed of all scientific publications of the Department, published in peer-reviews journals or media that are indexed in Scopus, world largest A&I database. Publications are already shown once indexed in Scopus, this can include already manuscripts that have been accepted for publication.

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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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