Results 31 to 40 of about 36,268 (249)

Theoretical and Experimental Aspects of Current and Future Research on NbO₂ Thin Film Devices

Crystals, 2021
The present research front of NbO2 based memory, energy generation, and storage thin film devices is reviewed. Sputtering plasmas contain NbO, NbO2, and NbO3 clusters, affecting nucleation and growth of NbO2, often leading to a formation of nanorods and ...
Denis Music, Andreas M. Krause, Pär A. T. Olsson   +2 more
doaj   +1 more source

DFT Computations and Molecular Docking Studies of 3-(6-(3-aminophenyl)thiazolo[1,2,4]triazol-2-yl)-2H-chromen-2-one(ATTC) Molecule

Hittite Journal of Science and Engineering, 2023
In this study, theoretic analyses were executed on the optimized geometric structure of 3-(6-(3-aminophenyl)thiazolo[3,2-b][1.2.4]triazol-2-yl)-2H-chromen-2-one (ATTC). The basis sets for these theoretical research were B3LYP/DGDZVP and B3LYP/6-311G(d,p).
Ümit Yıldıko, Kenan Gören, Mehmet Bağlan   +2 more
doaj   +1 more source

The effect of oxidation state on the viscosity of melts in the system Na2O-FeO-Fe2O3-SiO2 [PDF]

, 1987
The viscosities of two melts in the system Na2O-FeO-Fe2O3-SiO2 have been measured as a function of oxidation state. The experiments were conducted by concentric-cylinder viscometry, on melts equilibrated with gas mixtures in a vertical tube, gas-mixing ...
Dingwell, Donald B., Virgo, David
core   +1 more source

Extended Czjzek model applied to NMR parameter distributions in sodium metaphosphate glass [PDF]

, 2013
The Extended Czjzek Model (ECM) is applied to the distribution of NMR parameters of a simple glass model (sodium metaphosphate, $\mathrm{NaPO_3}$) obtained by Molecular Dynamics (MD) simulations.
Caër, Gérard Le, Charpentier, Thibault, Cristol, Sylvain, Delevoye, Laurent, Mauri, Francesco, Paul, Jean-François, Vasconcelos, Filipe   +6 more
core   +3 more sources

Photocatalytic activity in graded off-valent cations substituted NaNbO3

Heliyon
This study investigates the impact of off-valent doping on the photocatalytic properties of NaNbO3 concerning the degradation of Methylene Blue. Compositions with x values of 0.00 (representing pure NaNbO3, denoted as NBO) and 0.05 within the material ...
Rajbala Nain, R.K. Dwivedi
doaj   +1 more source

Um Estudo Químico-quântico da Covalência Intermolecular em Sistemas Estabilizados por Ligações de Hidrogênio π∙∙∙H e N∙∙∙H: Cálculos DFT, ChelpG, NBO e QTAIM

Orbital: The Electronic Journal of Chemistry, 2016
In this work, density functional calculations at BHandHLYP/6-311++G(d,p) theoretical level of structural parameters, electronic properties and vibration modes of the C2H2∙∙∙HCN∙∙∙HF and C2H4∙∙∙HCN∙∙∙HF T-shaped hydrogen complexes is presented. As is well-
Danilo Guimarães do Rego, Boaz Galdino de Oliveira   +1 more
doaj   +1 more source

NBO 6.0: Natural bond orbital analysis program [PDF]

Journal of Computational Chemistry, 2013
We describe principal features of the newly released version, NBO 6.0, of the natural bond orbital analysis program, that provides novel “link‐free” interactivity with host electronic structure systems, improved search algorithms and labeling conventions for a broader range of chemical species, and new analysis options that significantly extend the ...
Eric D, Glendening, Clark R, Landis, Frank, Weinhold   +2 more
openaire   +2 more sources

Coupled HBO and NBO variations in the Z source GX 5-1: inner accretion disk as the location of QPOs

, 2011
The simultaneous and coupled evolution of horizontal branch oscillation (HBO) and normal branch oscillation (NBO) in Z-type sources suggests that the production of HBO is connected to NBO and is caused by changes in the physical/radiative properties of ...
Alpar, Casella, Christian, Dotani, Hasinger, Hasinger, Homan, Homan, Homan, Homan, Jahoda, Jonker, Kuulkers, Lewin, Lin, McClintock, Miller, Miller, Penninx, Sriram, Sriram, Stella, Titarchuk, Titarchuk, Titarchuk, van der Klis, Wijnands, Wijnands, Wijnands, Wijnands, Wijnands, Yu   +31 more
core   +1 more source

Bent N‐Heterocyclic Allenes From a Well‐Defined Titanium Vinylidene Complex

Angewandte Chemie, EarlyView.
The syntheses and the structures of N‐heterocyclic allenes are reported. Allenes bearing fluorenylidene capping groups show markedly bent C═C═C units, a carbene‐like reactivity, and they can act as potent C‐donor ligands for metal complexes. ABSTRACT Allenes typically display a linear geometry. A notable exception occurs in allenes bearing two electron‐
Bastiaan Kooij, Damien W. Chen, Rosario Scopelliti, Farzaneh Fadaei‐Tirani, Kay Severin   +4 more
wiley   +2 more sources

Usefulness of nBos d 4, 5 and nBos d 8 Specific IgE Antibodies in Cow's Milk Allergic Children [PDF]

Allergy, Asthma & Immunology Research, 2014
The aim of study was to assess the value of recombinants in predicting the degree of symptoms in children with and without anaphylaxis to cow's milk.The study included 79 children (70±40 months) referred to the Allergological Unit of the Pediatric Department between the years 2008-2012.
CINGOLANI, ANNA, Di Pillo S, Cerasa M, RAPINO, DANIELE, Consilvio NP, ATTANASI, MARINA, SCAPARROTTA, ALESSANDRA, MARCOVECCHIO, Maria Loredana, MOHN, Angelika Anna, CHIARELLI, Francesco   +9 more
openaire   +3 more sources