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Chemical structure

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Chemical structure

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Photochromic Torsional Switch (PTS): a Light-Driven Actuator for the Dynamic Tuning of π-Conjugation Extension

Strategy to Boost the Efficiency of Mixed-Ion Perovskite Solar Cells: Changing Geometry of the Hole Transporting Material

Accurate molecular dynamics and nuclear quantum effects at low cost by multiple steps in real and imaginary time: Using density functional theory to accelerate wavefunction methods

Visualizing and Quantifying Interactions in the Excited State

Liquid Water through Density-Functional Molecular Dynamics: Plane-Wave vs Atomic-Orbital Basis Sets

Ab initio Electronic Structure of Liquid Water

Structure of fully protonated proteins by proton-detected magic-angle spinning NMR

Vibrational Signatures of Conformer-Specific Intramolecular Interactions in Protonated Tryptophan

High-Efficiency Perovskite Solar Cells Employing a S,N-Heteropentacene-based D-A Hole-Transport Material

A study of oligothiophene-acceptor dyes in p-type dye-sensitized solar cells