April 17, 2003 review Conceptual Density Functional Theory Chemical Reviews DOI: 10.1021/cr990029p OpenAlex Authors 0 Author list not loaded yet. Cited by 4 stored of 5,338 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 Engineering phonon anharmonicity and electronic band convergence in Mg3XY (X = Si, Ge; Y = S, Se, Te) monolayers for high thermoelectric performance 2026 Physica E Low-dimensional Systems and Nanostructures article Materials Science Advanced Thermoelectric Materials and Devices 0 citations The Grand Canonical General-Purpose Reactivity Indicator: A Conceptual DFT Approach to Predict Molecular Reactivity and Experimental Electrophilicity and Nucleophilicity Scales 2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access 3 citations An Automated Intermolecular Reaction Discovery Approach Relying on Heuristic Atom-Partitioned Frontier Orbital Features 2025 Journal of Chemical Information and Modeling article Physics and Astronomy Advanced Chemical Physics Studies Open access 4 citations Enhancing Predictive Accuracy Under Data Scarcity: Modeling Molecular Interactions to Describe Sealing Material Compatibility with Bio-Hybrid Fuels 2025 Physchem article Materials Science Machine Learning in Materials Science Open access 0 citations 4 results References 0