July 20, 2005 article A fast and robust algorithm for Bader decomposition of charge density Computational Materials Science DOI: 10.1016/j.commatsci.2005.04.010 OpenAlex Authors 0 Author list not loaded yet. Cited by 23 stored of 10,784 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Towards the design of artificial sensing materials via quantum-informed explainable AI 2026 Journal of Cheminformatics article Materials Science Machine Learning in Materials Science Open access 2 citations High-performance, high-entropy perovskite cathodes for low-temperature solid-oxide fuel cells 2026 Applied Catalysis B: Environmental article Materials Science Advancements in Solid Oxide Fuel Cells Open access 6 citations Topology-directed silicide formation: an explanation for the growth of C49-TiSi 2 on the Si(100) surface 2026 Nanoscale Advances article Physics and Astronomy Semiconductor materials and interfaces Open access 0 citations Possible Peierls Distortion Through Re 2 Dimer Formation in the LaNiO 2 ‐Type Nitrides Ln ReN 2 ( Ln = Pr, Nd) 2025 Angewandte Chemie International Edition article Chemistry Inorganic Chemistry and Materials Open access 1 citations Mögliche Peierls‐Verzerrung durch die Bildung von Re 2 ‐Dimeren in den LaNiO 2 ‐Typ Nitriden Ln ReN 2 ( Ln = Pr, Nd) 2025 Angewandte Chemie article Chemistry Inorganic Chemistry and Materials Open access 0 citations First-Principles Investigation of Janus Penta-PdXY (X = S, Se, Te; Y = O, Se, Te; X ≠ Y) Monolayers with High Piezoelectricity and Tunable Electronic Properties for Flexible Piezoelectric Sensors 2025 ACS Applied Nano Materials article Materials Science 2D Materials and Applications 3 citations Chemical Bonding Trends in Y 2 M 3 Si 5 ( M = Mn–Cu, Tc–Pd, Re–Pt): A Study within the Broad R 2 M 3 X 5 Intermetallic Family 2025 Inorganic Chemistry article Engineering Intermetallics and Advanced Alloy Properties Open access 1 citations Insights into structure and properties of catalyst-ionomer interfaces in a PEM fuel cell cathode from atomistic molecular dynamics simulations 2025 Electrochimica Acta article Engineering Fuel Cells and Related Materials Open access 7 citations Orbital-based bonding analysis in solids 2025 Chemical Science article Physics and Astronomy Advanced Chemical Physics Studies Open access 28 citations Exploring the correlation between chemical bonding and structural distortions in TbCu0.33Te2 2024 Journal of Physics Condensed Matter article Materials Science Crystal Structures and Properties 4 citations Variants of Surface Charges and Capacitances in Electrocatalysis: Insights from Density-Potential Functional Theory Embedded with an Implicit Chemisorption Model 2024 PRX Energy article Energy Electrocatalysts for Energy Conversion Open access 19 citations Layered GaGe2Te: structure and chemical bonding 2023 Zeitschrift für anorganische und allgemeine Chemie article Materials Science Crystal Structures and Properties Open access 5 citations Water electrolysis 2022 Nature Reviews Methods Primers review Energy Electrocatalysts for Energy Conversion Open access 496 citations Chemical bonding with plane waves 2022 Elsevier eBooks book-chapter Physics and Astronomy Advanced Chemical Physics Studies 9 citations Hexacene on Cu(110) and Ag(110): Influence of the Substrate on Molecular Orientation and Interfacial Charge Transfer 2022 The Journal of Physical Chemistry C article Engineering Surface Chemistry and Catalysis Open access 11 citations First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li- and Na-Ion Batteries Involving Complex Nitrogen-Based Anions 2022 Chemistry of Materials article Engineering Advancements in Battery Materials 19 citations First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries involving Complex Nitrogen-based Anions 2021 preprint Engineering Advancements in Battery Materials Open access 0 citations First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries involving Complex Nitrogen-based Anions 2021 ChemRxiv preprint Engineering Advancements in Battery Materials Open access 0 citations First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries 2021 preprint Engineering Advancements in Battery Materials Open access 0 citations RETRACTED: First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li and Na-ion Batteries 2021 ChemRxiv preprint Engineering Advancements in Battery Materials Open access 0 citations 1–20 of 23 Page 1 / 2 Next → References 0