Ursula Röthlisberger

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We report the first results from a new instrument capable of acquiring infrared spectra of mobility-selected ions. This demonstration involves using ion mobility to first separate the protonated peptide Gly-Pro-Gly-Gly (GPGG) into two conformational famili ...

Metallhalogenid‐Perowskite haben ein außerordentliches Potenzial für die Umwandlung von Sonnenenergie in elektrische Energie in der Photovoltaik gezeigt, doch ihre Anwendung wird durch eine begrenzte Betriebsstabilität behindert. Dies hat die Entwicklung h ...

Ursula Röthlisberger

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QMMM study of the thymine dimer radical anion splitting reaction: A comparison between the self-repair and the photolyase catalyzed process

Computational Insights Into Organic Halide Perovskite Solar Devices Incorporating Electroactive Interlayers

Role of environment in the catalysis of the MutY DNA repair enzyme

Ruddlesden–Popper Phases of Methylammonium-Based Two-Dimensional Perovskites with 5-Ammonium Valeric Acid AVA2MAn–1PbnI3n+1 with n = 1, 2, and 3

Computational Study of Thymine Dimer Radical Anion Splitting in the Self-Repair Process of Duplex DNA

DNA structural distortions induced by ruthenium-arene anticancer compounds

Infrared Spectroscopy of Mobility-Selected H+-Gly-Pro-Gly-Gly (GPGG)

Exploiting Coordinate Scaling Relations To Accelerate Exact Exchange Calculations

Towards Compatibility between Ruthenium Sensitizers and Cobalt Electrolytes in Dye-Sensitized Solar Cells

Nonadiabatic dynamics of complex molecular systems based on time-dependent density fucntional theory

Aryl‐Acetylen‐Schichthybrid‐Perowskite in der Photovoltaik

Biomimetic Sequestration of CO2: reprogramming the B1 domain of protein g through a combined computational and experimental approach

Trajectory surface hopping within linear response time-dependent density functional theory

Library of dispersion-corrected atom-centered potentials for generalized gradient approximation functionals: Elements H, C, N, O, He, Ne, Ar, and Kr

Cooperative passivation of perovskite solar cells by alkyldimethylammonium halide amphiphiles

Plane-Wave Implementation and Performance of à-la-Carte Coulomb-Attenuated Exchange-Correlation Functionals for Predicting Optical Excitation Energies in Some Notorious Cases

Parameterization of novel azole-bridged diplatinum anticancer drugs via a QM/MM force matching procedure

Duocarmycins binding to DNA explored by Molecular Simulation

Mechano-chemical switch to control reactive intermediates by negative enzyme catalysis

Mixed Time-Dependent Density-Functional/Classical Trajectory Study of Oxirane Photochemistry