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481
First-Principles Study on Stability and Magnetism of NimAln (m=1–3, n=1–9) Clusters
Published 2013-01-01“…These mixed species prefer to adopt three-dimensional (3D) structures starting from four atoms. All the ground-state structures for the Ni-Al clusters are different from those of the corresponding pure Al clusters with the same number of atoms except for three atoms. …”
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482
Prospects for Studies of the Free Fall and Gravitational Quantum States of Antimatter
Published 2015-01-01“…Among those, the project GBAR at CERN aims to measure precisely the gravitational fall of ultracold antihydrogen atoms. In the ultracold regime, the interaction of antihydrogen atoms with a surface is governed by the phenomenon of quantum reflection which results in bouncing of antihydrogen atoms on matter surfaces. …”
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483
APPLYING THE GENETIC ALGORITHM AND QUANTUM CHEMICAL CALCULATIONS TO STUDY THE STRUCTURE OF THE Sc2B6 CLUSTER AND ITS CO ADSORPTION
Published 2024-09-01“…The second most stable structure has the Cs point group symmetry and can be formed by substituting a Sc atom for a B atom in the ring and a B atom for Sc in one of the apexes. …”
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484
QUANTUM TELEPORTATION OF ENTANGLED STATES VIA GENERALIZED PHOTON-ADDED PAIR COHERENT STATE
Published 2023-03-01“…In this paper, we study the quantum teleportation of an unknown atomic state based on the two-photon Jaynes-Cummings model, consisting of an effective two-level atom with a two-mode field in the generalized photon-added pair coherent state (GPAPCS). …”
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485
On the Electronic Effect of V, Fe, and Ni on MgO(100) and BaO(100) Surface: An Explanation from a Periodic Density Functional
Published 2016-01-01“…Results suggest that doping atoms accommodate better in the MgO than in BaO because covalent radii of the doping atoms are closer to that of the Mg atom. …”
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486
Deciphering antioxidant interactions via data mining and RDKit
Published 2025-01-01“…The analysis focuses on the most commonly reported compounds and mixtures and considers how various chemical descriptors (number of atoms, number of heavy atoms, number of heteroatoms, number of carbon atoms, number of oxygen atoms, number of nitrogen atoms, number of chloride atoms, polar surface area, molecular weight, number of aromatic rings, logP, and hydrogen bond counts) affect the response. …”
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487
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488
Surface Properties of Synthetic Calcium Hydroxyapatite
Published 2005-09-01“…It was concluded that the adsorbability of organic compounds depends on the relationship between the greatest effective charges on their atoms and the atoms of water molecules.…”
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489
Spectroscopy and Modeling of ^{171}Yb Rydberg States for High-Fidelity Two-Qubit Gates
Published 2025-01-01“…These properties can be predicted accurately for alkali atoms with simple Rydberg level structures. However, an extension of these methods to more complex atoms such as alkaline-earth atoms has not been demonstrated or experimentally validated. …”
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490
Lidar Network for Temperature and Wind Measurements in the Mesosphere and Lower Thermosphere Region
Published 2024-10-01Get full text
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491
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492
The role of CO on initial oxidation behavior of α-U(001) surface: A first principles study
Published 2025-01-01“…Another inhibition mechanism, the combination of C atoms and O atoms to form bonds and consume oxygen atoms, has little effect on uranium corrosion.…”
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493
Improved Generalized Sparsity Adaptive Matching Pursuit Algorithm Based on Compressive Sensing
Published 2020-01-01“…To overcome this problem, an improved method with faster convergence speed is proposed. In respect of atomic selection, the proposed method computes the correlation between the measurement matrix and residual and then selects the atoms most related to residual to construct the candidate atomic set. …”
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494
Structural Properties of Liquid SiC during Rapid Solidification
Published 2013-01-01“…Threefold carbon atoms and fourfold silicon atoms are linked together by six typical structures and ultimately form a random network of amorphous structure. …”
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495
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496
Adsorption of Water Molecule in Graphene/MoS2 Heterostructure with Vacancy Defects in Mo Sites
Published 2022-01-01“…We consider vacancy defects in different Mo sites such as centre-1Mo atom vacancy defect (system-IIa), left-1Mo atom vacancy defect (system-IIb), and 2Mo atom vacancy defects (system-IIc). …”
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497
The effect of antimony presence in anodic copper on kinetics and mechanism of anodic dissolution and cathodic deposition of copper
Published 2008-01-01“…The influence of the presence of Sb atoms, as foreign metal atoms in anode copper, on kinetics, and, on the mechanism of anodic dissolution and cathodic deposition of copper in acidic sulfate solution has been investigated. …”
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498
Crystal structure of catena-poly[bis(N,O-dimethylhydroxylammonium) [di-μ-bromido-dibromidostannate(II)]]
Published 2025-01-01“…The asymmetric unit consists of one H3C—O—NH2+—CH3 cation (Me2HA+), one SnII atom located on a twofold rotation axis, and two Br atoms. …”
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499
Temperature effects on Xe bubble structure and grain boundary migration in UO2: A molecular dynamics simulation
Published 2025-03-01“…Consequently, at the lower temperature, GBs migrate at a lower migration rate, so that Xe atoms have enough time to diffuse into GBs when Xe bubbles meet GBs, while only part of Xe atoms are diffused into GBs at the higher temperature, and the residual Xe atoms are left behind GBs, with the bubble morphology changing from cluster-shaped into short-rod like. …”
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500
Emergent interaction-induced topology in Bose-Hubbard ladders
Published 2025-01-01“…We investigate the quantum many-body dynamics of bosonic atoms hopping in a two-leg ladder with strong on-site contact interactions. …”
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