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Improvement of d–d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+ U model on nickel coordination compounds
(Royal Society of Chemistry (RSC), 2020)
To improve the description of interactions among the localized d, f electrons in transition metals, we have introduced a ligand-field motivated contribution into the Density Functional Tight Binding (DFTB) model. Referred ...
Diversity and seasonal dynamics of culturable airborne fungi in a cultural heritage conservation facility
(Elsevier, 2021)
An extensive aeromycological survey was performed in the premises of a cultural heritage conservation facility to estimate fungal propagule concentrations in both indoor and outdoor air and seasonal dynamics with regard ...
Microbial bioremediation of the oil polluted environment and the sustainable development goals of pillar Planet of the Agenda 2030
(Srpinger Nature, 2024)
Sustainable development is a concept that is based on the development of the human society without compromising the natural resources, which should improve human lives and protect the environment for future generations. ...
Insight into the Origin of Pyrocatechol Inhibition on Oscillating Bray-Liebhafsky Reaction: Combined Experimental and Theoretical Study
(Chemical Society of Japan, 2020)
The pyrocatechol inhibitory effect on the oscillatory Bray-Liebhafsky (BL) reaction is reported. Obtained results are compared with those available in the literature (R. Cervellati et al, Helvetica Chimica Acta 2001) for ...
Aerogel Re/Pd-TiO2/SiO2 and Co/Mo-Al2O3/SiO2 catalysts for hydrodesulphurisation of dibenzothiophene and 4,6-dimethyldibenzothiophene
(Elsevier, 2021)
Re/Pd-TiO2/SiO2 and Co/Mo-Al2O3/SiO2 aerogel catalysts were synthesized using sol-gel method and supercritical drying in excess solvent, and investigated in the hydrodesulphurisation (HDS) of dibenzothiophene (DBT) and ...
Visible light promoted photoredox C(sp3)-H bond functionalization of tetrahydroisoquinolines in flow
(Royal Society of Chemistry, 2021)
A merger of organocatalysis and visible light photoredox catalysis performed in flow allowed access to a wide range of functionalizedN-aryl-substituted tetrahydroisoquinolines (THIQs) in a formal C-H oxidation/Mannich ...
Fatigue fracture analysis of helicopter landing gear cross tube
(Elsevier, 2021)
This paper presents the failure analysis results of the helicopter skid landing gear. The helicopter skid landing gear fractured while the helicopter was on the ground at the airport. The aft cross tube of the landing gear ...
The Effect of Nanofibrillated Tempo-oxidized Cotton Linters on the Strength and Optical Properties of Paper
(USA :Taylor & Francis INC, 2020)
This study elaborates the application of composite films based on nanofibrillated cellulose obtained from cotton linters oxidized in the 2,2,6,6-tetramethylpiperidine-1-oxyl radical (TEMPO)/NaBr/NaClO system, with the use ...
Functional ibuprofen-loaded cationic nanoemulsion: Development and optimization for dry eye disease treatment
(Elsevier, 2020)
Abstract: Inflammation plays a key role in dry eye disease (DED)affecting millions of people worldwide. Non-steroidal anti-inflammatorydrugs (NSAIDs) can be used topically to act on the inflammatory componentof DED, but ...
Chemical Fingerprint and Kernel Quality Assessment in Different Grafting Combinations of Almond Under Stress Condition
(Elsevier, 2021)
The study was designed to investigate chemical composition and kernel quality of almond cultivars ‘Troito’, ‘Marcona’ and ‘Texas’ grafted on Myrobalan plum seedlings and ‘GF 677’ rootstock under drought stress. Oil content ...