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The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States
(American Chemical Society (ACS), 2019)
Although the unusual structural, magnetic,electronic, and spin characteristics of manganocene hasintrigued scientists for decades, a unified explanation andrationalization of its properties has not yet been provided.Results ...
Formation of needle-like and honeycomb-like magnesium oxide/hydroxide structures by electrodeposition from magnesium nitrate melts
(Oxford : Pergamon-Elsevier Science Ltd, 2018)
The processes of electrochemical deposition of magnesium oxide/hydroxide on glassy carbon (GC) electrode from magnesium nitrate hexahydrate melt have been investigated. A novel procedure predicting a possibility of direct ...
Short Intramolecular O···O Contact in Some o-Dialkoxybenzene Derivatives Generates Efficient Hydrogen Bonding Acceptor Area
(American Chemical Society (ACS), 2018)
Statistical analysis of data extracted from the Cambridge Structural Database (CSD) has been used to investigate the crystal structure properties of odialkoxybenzene derivatives, compounds containing two ether oxygen ...
Complex investigation of charge storage behavior of microporous carbon synthesized by zeolite template
(Elsevier, 2016)
Microporous zeolite templated carbon (ZTC) was synthesized by impregnation method using zeolite Y (Na-form) as a template, and furfuryl alcohol as a carbon precursor. The characterization was carried out by X-ray diffractometry, ...
Modeling the hydrogen sulfide binding to heme
(Elsevier Science Inc, New York, 2018)
The binding of hydrogen sulfide to a model heme compound is investigated by coupled-cluster singles-doubles augmented by a perturbative triple excitations, CCSD(T), and density functional theory, DFT. The minimum energy ...
Modeling a Reaction Section of a Commercial Continuous Catalytic Reformer
(American Chemical Society (ACS), 2018)
Continuous catalytic reforming (CCR) is known to convert refinery naphtha to a high-octane liquid product, also known as the reformate. In this paper, a First Principle Reaction Section Model for a CCR process is presented. ...
Dissociative electron attachment and electronic excitation in Fe(CO)5
(Royal Soc Chemistry, Cambridge, 2018)
In a combined experimental and theoretical study we characterize dissociative electron attachment (DEA) to, and electronically excited states of, Fe(CO)(5). Both are relevant for electron-induced degradation of Fe(CO)(5). ...
Fast profiling of protease specificity reveals similar substrate specificities for cathepsins K, L and S
(Wiley-Blackwell, Hoboken, 2015)
Proteases are important effectors of numerous physiological and pathological processes. Reliable determination of a protease's specificity is crucial to understand protease function and to develop activity-based probes and ...
Mechanically activated carbonized rayon fibers as an electrochemical supercapacitor in aqueous solutions
(Oxford : Pergamon-Elsevier Science Ltd, 2017)
The activated carbon cloth (ACC), obtained by chemical/physical activation of carbonized rayon fibers, was grinded in a ball mill and studied from the aspect of double layer capacitance. The changes in pore structure, ...
Anaphoretical/oxidative approach to the in-situ synthesis of adherent hydroxyapatite/titanium oxide composite coatings on titanium
(Elsevier, 2019)
In-situ synthesis of HAp/TiO2 coating on titanium was performed via anaphoretic deposition of HAp and simultaneous anodization of Ti to produce highly adherent and strengthened composite coating. The prepared coatings were ...