%0 Book %T Advances in phosphorus binding: computational chemistry insights into reactive molecular systems %A Ahmed, Ashour Abdelaal Mahmoud %D 2025 %C Rostock %C Universität Rostock %G English %F 196243219X %O vorgelegt von Dr. Ashour Ahmed %O Enthält Zeitschriftenartikel %O GutachterInnen: Oliver Kühn (Institute of Physics, University of Rostock) ; Daniel Tunega (Institute of Soil Research, University of Natural Resources and Life Sciences, Vienna) ; James Kubicki (Department of Earth, Environmental and Resource Sciences, University of Texas at El Paso) %O Habilitationsschrift Universität Rostock 2025 Kumulative Habilitationsschrift %X Molecular simulations are vital in chemistry but underutilized in environmental studies due to soil complexity. My habilitation thesis bridges this gap by investigating phosphorus (P) binding in soil through computational chemistry. It models interactions with organic matter, metal ions, and minerals, revealing key factors affecting P availability. It introduces smart fertilizers at a molecular level, optimizing nutrient release and soil quality based on soil and crop needs. It also highlights modeling challenges, advocating interdisciplinary approaches for soil fertility and sustainability. %L 530 %9 theses %9 Text %9 Hochschulschrift %R 10.18453/rosdok_id00005130 %U https://purl.uni-rostock.de/rosdok/id00005130 %U https://nbn-resolving.org/urn:nbn:de:gbv:28-rosdok_id00005130-6 %U https://d-nb.info/1391763696/34 %U https://doi.org/10.18453/rosdok_id00005130