November 08, 2000 article Open access From molecules to solids with the DMol3 approach The Journal of Chemical Physics DOI: 10.1063/1.1316015 Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 11,126 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 Pressure-mediated band engineering and cation ordering for enhanced thermoelectric performance in CuInTe2 chalcopyrites 2025 Chemical Engineering Journal article Materials Science Advanced Thermoelectric Materials and Devices 8 citations Experiment and multiscale molecular simulations on the Cu absorption by biochar-modified asphalt: An insight into removal capability and mechanism of heavy metals from stormwater runoff 2023 Chemical Engineering Journal article Environmental Science Adsorption and biosorption for pollutant removal 60 citations Redox-Active Polymers as Robust Electron-Shuttle Co-Catalysts for Fast Fe3+/Fe2+ Circulation and Green Fenton Oxidation 2023 Environmental Science & Technology article Environmental Science Advanced oxidation water treatment 101 citations The exceptionally high moisture responsiveness of a new conductive-coordination-polymer based chemiresistive sensor 2021 CrystEngComm article Engineering Gas Sensing Nanomaterials and Sensors 12 citations Synthesis strategies and emerging mechanisms of metal-organic frameworks for sulfate radical-based advanced oxidation process: A review 2020 Chemical Engineering Journal article Environmental Science Advanced oxidation water treatment 233 citations 5 results References 0