Results 121 to 130 of about 966,659 (353)

Quantum chemical B3LYP/cc-pvqz computation of ground-state structures and properties of small molecules with atoms of Z ≤ 18 (hydrogen to argon)(IUPAC Technical Report) [PDF]

, 2001
Rudolf Janoschek
openalex   +1 more source

Direct Metal Deposition of Graphene–Ti28Nb35.4Zr Matrix Composites With Enhanced Mechanical, Corrosion, and Biocompatibility Properties for Bone Implants

Advanced Engineering Materials, EarlyView.
Graphene nanoplatelet (0.1 wt.%) reinforcement significantly enhances the performance of β Ti‐28Nb‐35.4Zr alloy. Grain refinement, reduced water contact angle, and improved surface characteristics promote osteoblast adhesion and complete surface coverage after 7 days.
Khurram Munir, Jixing Lin, Yuncang Li, Li Zhu, Paul F. A. Wright, Cuie Wen   +5 more
wiley   +1 more source

Development of a complete spin filter for metastable hydrogen atoms and its isotopes

Physics Open
Since the early days of quantum mechanics, hydrogen, as the simplest of all atoms, has been studied or used to investigate new physics. In the past this knowledge has been applied to develop a polarimeter where the initial nuclear polarization of a ...
N. Faatz, R. Engels, C. Kannis, B. Breitkreutz, H. Soltner   +4 more
doaj   +1 more source

H2 and (H2)2 molecules with an ab initio optimization of wave functions in correlated state: electron–proton couplings and intermolecular microscopic parameters

New Journal of Physics, 2014
The hydrogen molecules H _2 and ${{\left( {{H}_{2}} \right)}_{2}}$ are analyzed with electronic correlations taken into account between the $1s$ electrons in an exact manner.
Andrzej P Kądzielawa, Agata Bielas, Marcello Acquarone, Andrzej Biborski, Maciej M Maśka, Józef Spałek   +5 more
doaj   +1 more source

Stability and hyperfine structure of the four- and five-body muon-atomic clusters $a^{+} b^{+} \mu^{-} e^{-}$ and $a^{+} b^{+} \mu^{-} e^{-} e^{-}$

, 2012
Based on the results of accurate variational calculations we demonstrate stability of the five-body negatively charged ions $a^{+} b^{+} \mu^{-} e^{-} e^{-}$. Each of these five-body ions contains two electrons $e^{-}$, one negatively charged muon $\mu^{-
A. M. Frolov, A.M. Frolov, A.M. Frolov, A.M. Frolov, D. M. Wardlaw, N.N. Kolesnikov   +5 more
core   +1 more source

Electrochemical Behavior of Flame‐Sprayed Sc‐Doped AlCoCrFeMo High‐Entropy Alloy Coatings in 3.5% Sodium Chloride Solution

Advanced Engineering Materials, EarlyView.
Scandium (Sc)‐doped AlCoCrFeMo HEA coatings are fabricated via flame spraying with 0.1, 0.3, and 0.5 wt% Sc additions. Among these, the HEA‐Sc0.3 coating exhibits the highest corrosion resistance, indicated by a more positive corrosion potential and lower current density.
Pankaj Kumar, Akash Vyas, Mohammad Aatif Qazi, Nashit Jalal, Maria Ophelia Jarligo, Mostafa Yakout, Jing Liu, André McDonald   +7 more
wiley   +1 more source

Non-analyticity of the ground state energy of the hydrogen atom in non-relativistic QED [PDF]

, 2010
J-M Barbaroux, S A Vugalter
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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

Photoswitchable Conductive Metal–Organic Frameworks

Advanced Functional Materials, EarlyView.
A conductive material where the conductivity can be modulated remotely by irradiation with light is presented. It is based on films of conductive metal–organic framework type Cu3(HHTP)2 with embedded photochromic molecules such as azobenzene, diarylethene, spiropyran, and hexaarylbiimidazole in the pores.
Yidong Liu, Mersad Mostaghimi, Abhinav Chandresh, Saibal Jana, Wolfgang Wenzel, Lars Heinke   +5 more
wiley   +1 more source

A comparative study of intramolecular hydrogen bond on N-formylformamide derivatives in ground and first singlet excited state: a DFT and TD-DFT study [PDF]

, 2019
Peyman Mohammadzadeh Jahani, Maedeh Jafari, Mohammad Amin Kazemian   +2 more
openalex   +1 more source