Results 71 to 80 of about 203,361 (319)

Dielectric Barrier Discharge Plasma Deoxidation of Natively Oxide Layer of Copper Powders in a Fluidized Bed

Advanced Engineering Materials, EarlyView.
This paper presents a novel approach to reducing oxide layers on metal powders using low‐temperature hydrogen dielectric barrier discharge plasmas at atmospheric pressure. Unlike conventional hydrogen‐plasma reductions, the powders do not contact the plasma directly.
Shukang Zhang, Annett Wollmann, Thomas Gimpel, Alfred P. Weber   +3 more
wiley   +1 more source

Synthesis, characterisation and DFT studies of [3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl](phenyl)methanone derivatives

Results in Chemistry, 2021
Three 1,2,4-triazole derivatives have been synthesised from hydrazides and 2-(2-hydroxyphenyl)-4H-1,3-benzoaxin-4-one. With the aid of Conceptual Density Functional Theory (CDFT), Molecular Electrostatic Potential (MEP) and Quantum Theory of Atoms in ...
Louis-Charl C. Coetzee, Alfred J. Muller, Adedapo S. Adeyinka, Molahlehi S. Sonopo, D. Bradley G. Williams   +4 more
doaj   +1 more source

Microscopic many-body theory of atomic Bose gases near a Feshbach resonance

, 2002
A Feshbach resonance in the s-wave scattering length occurs if the energy of the two atoms in the incoming open channel is close to the energy of a bound state in a coupled closed channel.
Duine, R. A., Stoof, H. T. C.
core   +2 more sources

Deterministic Detection of Single Ion Implantation

Advanced Engineering Materials, EarlyView.
Focused ion beam implantation with high detection efficiencies will enable the rapid and scalable fabrication of advanced spin‐based technologies such as qubits. This work presents the detection efficiencies of a wide range of ions implanted into solid‐state hosts, with efficiencies of >90% recorded for ion species and substrate combinations of ...
Mason Adshead, Lok Kan Wan, Maddison Coke, Janet Jacobs, Nicholas F. L. Collins, Mark C. Rosamond, Richard J. Curry   +6 more
wiley   +1 more source

DFT investigation of adsorptions of C2×2 and C2×4 (X=H, F) molecules on Ni-decorated Mg4O4 nanoclusters

Chemical Physics Impact
In this research, adsorptions of C2×2 and C2×4 (X = H, F) molecules on the Mg4O4 cluster and Ni-decorated Mg4O4 nanoclusters was inspected at the LC-ωPBE/6–311G(d,p) level of theory. Energetic aspects of adsorption process were exemplified.
Shahin Abasaltian, Reza Ghiasi, Sahar Baniyaghoob   +2 more
doaj   +1 more source

Anharmonic Thermal Motion Modelling in the Experimental XRD Charge Density Determination of 1-Methyluracil at T = 23 K

Molecules, 2021
The experimental electron density distribution (EDD) of 1-methyluracil (1-MUR) was obtained by single crystal X-ray diffraction (XRD) experiments at 23 K.
Riccardo Destro, Pietro Roversi, Mario Barzaghi, Leonardo Lo Presti   +3 more
doaj   +1 more source

Exploring Dipolar Dynamics and Ionic Transport in Metal‐Organic Frameworks: Experimental and Theoretical Insights

Advanced Functional Materials, EarlyView.
In this study, the interplay of dipolar dynamics and ionic charge transport in MOF compounds is investigated. Synthesizing the novel structure CFA‐25 with integrated freely rotating dipolar groups, local and macroscopic effects, including interactions with Cs cations are explored.
Ralph Freund, Arthur Schulz, Peter Lunkenheimer, Maryana Kraft, Thomas Bergler, Harald Oberhofer, Dirk Volkmer   +6 more
wiley   +1 more source

A Density Functional Theory‐Based Investigation of a pH‐ and Redox‐Driven Tristable [2]Rotaxane in CH2Cl2 Dilute Solution

ChemistryOpen
A recently synthesized pH‐ and redox‐driven tristable [2]rotaxane in dichloromethane solution (Angew. Chem. 2025, 64, e202414609) has been investigated within the framework of the Density Functional Theory DFT) in a polarizable and dielectric media via ...
Costantino Zazza, Nico Sanna, Stefano Borocci, Felice Grandinetti   +3 more
doaj   +1 more source

Quantum computing implementations with neutral particles

, 2011
We review quantum information processing with cold neutral particles, that is, atoms or polar molecules. First, we analyze the best suited degrees of freedom of these particles for storing quantum information, and then we discuss both single- and two ...
A. Andre, A. Gaëtan, A. Lengwenus, A. Lengwenus, A. Negretti, A.J. Daley, A.S. Sørensen, A.S. Sørensen, Antonio Negretti, C. Bruder, C. Deutsch, C. Lee, C. Trefzger, C. Weitenberg, C.M. Tesch, D. DeMille, D. Jaksch, D. Jaksch, D. Jaksch, D. Møller, D. Schrader, D. Stick, D.J. Wineland, D.P. DiVincenzo, D.S. Petrov, E. Brion, E. Brion, E. Brion, E. Charron, E. Charron, E. Charron, E. Kuznetsova, E. Urban, G. Birkl, G. Chen, G.D. Chiara, G.K. Brennen, H. Wu, H. Yan, H.-J. Briegel, I. Lesanovsky, J. Beugnon, J. Majer, J. Mompart, J. Mozley, J. Schmiedmayer, J. Verdú, J.F. Sherson, J.H. Wesenberg, K. Christandl, K. Eckert, K. Tordrup, K. Tordrup, K.D. Nelson, L. Isenhower, L. Tian, M. Greiner, M. Morinaga, M. Müller, M. Saffman, M. Singh, M. Steffen, M.A. Cirone, M.A. Nielsen, M.D. Lukin, M.F. Riedel, M.H. Goerz, M.P.A. Fisher, N. Lundblad, O. Mandel, P. Böhi, P. Böhi, P. Doria, P. Rabl, P. Treutlein, P. Treutlein, P. Treutlein, P.F. Herskind, P.F. Herskind, Philipp Treutlein, R. Dumke, R. Gehr, R.J. Schoelkopf, S. Bergamini, S. Hofferberth, S. Schulz, S. Seidelin, S. Whitlock, S.E. Sklarz, S.F. Yelin, T. Calarco, T. Calarco, T. Calarco, T. Calarco, T. Calarco, T. Calarco, T. Pellizzari, Tommaso Calarco, V. Finkelstein, V.F. Krotov, W.S. Bakr, W.S. Bakr, Y. Colombe, Y. Kubo, Y.-J. Wang   +104 more
core   +1 more source

Competition between chalcogen bond and halogen bond interactions in YOX4:NH3 (Y = S, Se; X = F, Cl, Br) complexes: An ab initio investigation [PDF]

, 2016
Using ab initio calculations, the geometries, interaction energies and bonding properties of chalcogen bond and halogen bond interactions between YOX4 (Y = S, Se; X = F, Cl, Br) and NH3 molecules are studied. These binary complexes are formed through the
Asadollahi, S., Dadban Shahamat, Y., Esrafili, M.D.   +2 more
core   +1 more source