Results 31 to 40 of about 16,319 (283)

A velocity map imaging study of multiphoton photodissociation and photoionisation dynamics in niobium oxide, NbO [PDF]

, 2020
Velocity map imaging has transformed our capabilities in terms of determining photofragmentation and photoionisation thresholds. Here, we present an investigation into the multi-photon dissociation and photoionisation dynamics of niobium monoxide (NbO ...
Pickering, Jack, Gentleman, Alexander S, Köckert, Hansjochen, Mackenzie, Stuart R   +3 more
core   +1 more source

Green and facile synthesis of strontium doped Nb2O5/RGO photocatalyst: Efficacy towards H2 evolution, benzophenone-3 degradation and Cr(VI) reduction

Catalysis Communications, 2023
A simple co-precipitation method has been developed to synthesize Nb2O5/reduced graphene oxide nanocomposite (NbO/RGO). The effect of various % of strontium doping on NbO/RGO was studied.
K. Yogesh Kumar, M.K. Prashanth, H. Shanavaz, L. Parashuram, Fahad A. Alharti, Byong-Hun Jeon, M.S. Raghu   +6 more
doaj   +1 more source

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

Oxidation of Nb(110): atomic structure of the NbO layer and its influence on further oxidation. [PDF]

, 2020
NbO terminated Nb(110) and its oxidation are examined by scanning tunneling microscopy and spectroscopy (STS). The oxide structures are strongly influenced by the structural and electronic properties of the underlying NbO substrate. The NbO is terminated
Zhussupbekova, Ainur, Bozhko, Sergey I., Walls, Brian, Zhussupbekov, Kuanysh, Walshe, Killian, Fleischer, Karsten, Shvets, Igor V., Norton, Emma, Semenov, Valery, Ionov, Andrey   +9 more
core   +1 more source

Using Chou’s 5-Step Rule to Evaluate the Stability of Tautomers: Susceptibility of 2-[(Phenylimino)-methyl]-cyclohexane-1,3-diones to Tautomerization Based on the Calculated Gibbs Free Energies

Energies, 2020
Gibbs free energies, based on DFT (Density Functional Theory) calculations, prove that enaminone (2-(anilinemethylidene)cyclohexane-1,3-dione) and ketamine (2-[(phenylimino)-methyl]cyclohexane-1,3-dione) are the most and least stable tautomeric forms of ...
Robert Dobosz, Jan Mućko, Ryszard Gawinecki   +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

A Cubic 3D Covalent Organic Framework with nbo Topology [PDF]

Journal of the American Chemical Society, 2021
The synthesis of three-dimensional (3D) covalent organic frameworks (COFs) requires high-connectivity polyhedral building blocks or the controlled alignment of building blocks. Here, we use the latter strategy to assemble square-planar cobalt(II) phthalocyanine (PcCo) units into the nbo topology by using tetrahedral spiroborate (SPB) linkages that were
Xue Wang, Mounib Bahri, Zhiwei Fu, Marc A. Little, Lunjie Liu, Hongjun Niu, Nigel D. Browning, Samantha Y. Chong, Linjiang Chen, John W. Ward, Andrew I. Cooper   +10 more
openaire   +2 more sources

The susceptibility of disulfide bonds towards radiation damage may be explained by S...O interactions

IUCrJ, 2020
Radiation-induced damage to protein crystals during X-ray diffraction data collection is a major impediment to obtaining accurate structural information on macromolecules.
Rajasri Bhattacharyya, Jesmita Dhar, Shubhra Ghosh Dastidar, Pinak Chakrabarti, Manfred S. Weiss   +4 more
doaj   +1 more source

Theoretical insights into the properties of the borazine… X- complexes (X- = H, F, Cl, CN, NC or NCO) [PDF]

Journal of the Serbian Chemical Society, 2009
The character of the NH ...X- (X- = H, F, Cl, CN, NC or NCO) interactions of borazine with anions was studied using ab initio method. The interaction energies were calculated at the B3LYP/6-311++G(d,p) level.
Ghiasi Reza
doaj   +1 more source

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