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Nano Letters|September 25, 2014
TiO2 anatase with a bandgap in the visible regionChristian Dette, Miguel A Pérez-Osorio, Christopher S Kley, et al.Journal of the American Chemical Society|January 2, 2008
Quantifying weak hydrogen bonding in uracil and 4-cyano-4'-ethynylbiphenyl: a combined computational and experimental investigation of NMR chemical shifts in the solid stateAnne-Christine Uldry, John M Griffin, Jonathan R Yates, et al.The Journal of Physical Chemistry. A|December 28, 2019
Weak Intermolecular CH···N Hydrogen Bonding: Determination of 13CH-15N Hydrogen-Bond Mediated J Couplings by Solid-State NMR Spectroscopy and First-Principles CalculationsAmy L Webber, Jonathan R Yates, Miri Zilka, et al.Magnetic Resonance in Chemistry : MRC|July 1, 2010
New perspectives in the PAW/GIPAW approach: J(P-O-Si) coupling constants, antisymmetric parts of shift tensors and NQR predictionsChristian Bonhomme, Christel Gervais, Cristina Coelho, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|June 30, 2018
Field-induced canting of magnetic moments in GdCo5 at finite temperature: first-principles calculations and high-field measurementsChristopher E Patrick, Santosh Kumar, Kathrin Götze, et al.Advanced Materials (Deerfield Beach, Fla.)|January 16, 2026
Differential Ligand-Cation Interactions Enable 2D-Template-Induced Ordered Assembly for Efficient Tin-Based Perovskite PhotovoltaicsYu Zou, Jian Liu, Yide Chang, et al.Nano Letters|January 30, 2014
Atomic-scale observation of multiconformational binding and energy level alignment of ruthenium-based photosensitizers on TiO2 anataseChristopher S Kley, Christian Dette, Gordon Rinke, et al.Nature Biotechnology|February 19, 2026
Harnessing microalgae for the biosynthesis of molecular crystalsAvital Wagner, Noam Margalit, Yahel Fishman, et al.Nature|October 27, 2025
A matrix-confined molecular layer for perovskite photovoltaic modulesYugang Liang, Guodong Chen, Yao Wang, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|October 29, 2019
Wannier90 as a community code: new features and applicationsGiovanni Pizzi, Valerio Vitale, Ryotaro Arita, et al.Pageof 8