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Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|August 30, 2025
Alkali Metalation Enables Natural Anthraquinone Derivatives as Sustainable Cathode Materials for Lithium-Ion BatteriesXinyue Zhu, Xianlong Zhou, Lingchao Cai, et al.Physical Chemistry Chemical Physics : PCCP|July 13, 2006
C28 fullerites-structure, electronic properties and intercalatesAndrey Enyashin, Sibylle Gemming, Thomas Heine, et al.Physical Review Letters|December 3, 2022
Structure-Imposed Electronic Topology in Cove-Edged Graphene NanoribbonsFlorian M Arnold, Tsai-Jung Liu, Agnieszka Kuc, et al.Journal of Computational Chemistry|December 5, 2006
Recent advances in planar tetracoordinate carbon chemistryGabriel Merino, Miguel A Méndez-Rojas, Alberto Vela, et al.ACS Nano|December 24, 2013
Highly effective hydrogen isotope separation in nanoporous metal-organic frameworks with open metal sites: direct measurement and theoretical analysisHyunchul Oh, Ievgeniia Savchenko, Andreas Mavrandonakis, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|August 9, 2017
Ultrathin Layers of PdPX (X=S, Se): Two Dimensional Semiconductors for Photocatalytic Water SplittingYu Jing, Yandong Ma, Yu Wang, et al.Journal of Chemical Theory and Computation|November 20, 2015
Density Functional Theory and Beyond for Band-Gap Screening: Performance for Transition-Metal Oxides and DichalcogenidesWenqing Li, Christian F J Walther, Agnieszka Kuc, et al.Angewandte Chemie (International Ed. in English)|June 2, 2017
Two-Dimensional Haeckelite NbS2 : A Diamagnetic High-Mobility Semiconductor with Nb4+ IonsYandong Ma, Agnieszka Kuc, Yu Jing, et al.The Journal of Physical Chemistry. A|May 14, 2015
Detailed atomistic investigation of Fe-doped rutile phasesWenqing Li, Agnieszka Kuc, Christian F J Walther, et al.Journal of Chemical Theory and Computation|November 24, 2015
Efficient Quantum Simulations of Metals within the Γ-Point Approximation: Application to Carbon and Inorganic 1D and 2D MaterialsMahdi Ghorbani-Asl, Rosalba Juarez-Mosqueda, Agnieszka Kuc, et al.Pageof 29