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2024-09-04ZeitschriftenartikelChemically accurate predictions for water adsorption on Brønsted sites of zeolite H-MFI† We investigate the adsorption of water molecules in the zeolite H-MFI at isolated Brønsted acid sites (BAS) for loadings of 1, 2, and 3 H2O/BAS. We consider two approaches to the O3Al–O(H)–Si sites: the Brønsted-type ...
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2019-06-28ZeitschriftenartikelEthynylphosphonamidates for the Rapid and Cysteine-Selective Generation of Efficacious Antibody–Drug Conjugates Requirements for novel bioconjugation reactions for the synthesis of antibody–drug conjugates (ADCs) are exceptionally high, since conjugation selectivity as well as the stability and hydrophobicity of linkers and payloads ...
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2024-09-19DissertationThe Trials and Triumphs of Modelling X-ray Spectroscopy of Strongly Correlated Transition Metal Complexes Diese Dissertation befasst sich mit der Modellierung von Spin- und Oxidationszuständen stark korrelierter Übergangsmetallkomplexe der ersten Reihe. Verschiedene ab initio-Methoden zur Modellierung der Elektronenkorrelation ...
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2017-12-13ZeitschriftenartikelNeural Representations of Hierarchical Rule Sets: The Human Control System Represents Rules Irrespective of the Hierarchical Level to Which They Belong Humans use rules to organize their actions to achieve specific goals. Although simple rules that link a sensory stimulus to one response may suffice in some situations, often, the application of multiple, hierarchically ...
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2019-07ZeitschriftenartikelHousehold-specific targeting of agricultural advice via mobile phones: Feasibility of a minimum data approach for smallholder context In recent years, agricultural extension services in developing countries have increasingly introduced modern information and communication technologies (ICT) to deliver advice. But to realize efficiency gains, digital ...
