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Data science and deep learning for the development of new hydrogen storage materials
(Belgrade : Faculty of Physical Chemistry, University of Belgrade, 2021)
Prediction of metal hydride formation enthalpy is one of the key requirements for a rapid design of new hydrogen storage materials. In the last decades, DFT (density functional theory) approach showed good predictive ...
Tailoring Titanium Dioxide Nanoparticles for Water Purification Applications
(Novi Sad : Faculty of Technical Sciences, 2021)
Photocatalytic degradation is an increasingly popular solution to the problem of water pollution due to its effectiveness and versatility. Different structural modifications are used to enhance the performance of the ...
Mechanochemical activation of LiAlH4-Fe2O3 composites-a method to enhance kinetics of hydrogen desorption
(Zagreb : "Ruđer Bošković" Institute, 2021)
Mechanical milling of pure lithium alanate (LiAlH4) was done with addition of 5 weigh percent of Fe2O3 using different milling time ranging from 1 to 15 minutes [1]. Mechanical milling of composites causes destabilization ...
GNN and transfer learning for prediction of formation enthalpy of metal hydrides
(Zagreb : "Ruđer Bošković" Institute, 2021)
Prediction of metal hydride formation enthalpy is one of the key elements for a rapid screening and design of new hydrogen storage materials. In the last decades, DFT (density functional theory) approach showed good ...
Optical spectroscopy of plasma induced by irradiation of animal bone with TEA CO2 laser
(PHYSICAL CHEMISTRY 2021 : 15th international conference on fundamental and applied aspects of physical chemistry, 2021)
The application of laser-induced breakdown spectroscopy (LIBS) for the elemental analysis of pig shoulder bone samples is reported. Measurements were performed using a compact laboratory-made TEA CO2 laser with low pulse ...
Inhibition of ecto-nucleoside triphosphate diphosphohydrolases by polyoxopalladates with promising antileukemic properties
(Belgrade : Society of Physical Chemists of Serbia, 2021)
Polyoxopalladates(II) (POPs) are the largest subset of polyoxo-noble-metalates (PONMs), representing a class of discrete, anionic noble metal-oxo nanoclusters. In this study, the in vitro effects of two isostructural, fully ...
Influence of polyoxopalladates(II) on ecto-nucleoside triphosphate diphosphohydrolases
(Belgrade : Society of Physical Chemists of Serbia, 2021)
Polyoxopalladates (POPs) are discrete, anionic palladium(II)- oxo nanoclusters combining properties of polyoxometalates and palladium(II), and thus are highly promising for the development of novel antitumor metallodrugs. ...