Sol-Gel Synthesis, X-Ray Diffraction Studies, and Electric Conductivity of Sodium Europium Silicate by Ekaterina V. Borisova, Alexey V. Ignatov, Eugeni I. Get'man, Stanislav N. Loboda, Lyudmyla I. Ardanova, Lyudmila V. Pasechnik, Vitaly S. Ponurovsky

“…Rietveld refinement has revealed that sodium atoms are ordered and occupy the 4f position. O(4) atoms not related to silicate ions are placed at the centers of Eu(2) triangles. …”
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Discovery of bicyclic borane molecule B14H26 by Xiaoni Zhang, Tomoko Fujino, Yasunobu Ando, Yuki Tsujikawa, Tianle Wang, Takeru Nakashima, Haruto Sakurai, Kazuki Yamaguchi, Masafumi Horio, Hatsumi Mori, Jun Yoshinobu, Takahiro Kondo, Iwao Matsuda

“…Uniquely, this synthesis method involves a decomposition mechanism rather than traditional atom-by-atom assembly, marking an unique approach to constructing complex borane structures. …”
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Molecular insights into the structural, spectroscopic, chemical shift characteristics, and molecular docking analysis of the carbamate insecticide fenobucarb by K. KrishnaKumar, M. Jenifer, T.J. Nandhini, M. Sridharan, G. Sabarinathan, Pallavi M. Shanthappa

“…This reduction is attributed by electron-with drawing in the carbonyl group. Carbon atoms C8 and C14 are bonded to single-bonded and double-bonded oxygen atoms, resulting in increased resonance signals at 157.87 ppm and 159.19 ppm, respectively, attributed to the oxygen atoms deshielding effects. …”
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Crystal structure and Hirshfeld surface analysis of a new polymorph of chloridobis(1,10-phenanthroline-κ2N,N′)copper(II) perchlorate by Maksym O. Plutenko, Oleksandr S. Vynohradov, Matti Haukka, Irina A. Golenya, Snizhana V. Gaidai

“…The title salt (systematic name: 2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium chloride), [CuCl(C12H8N2)2](ClO4), is comprised of a mononuclear complex cation [Cu(phen)2Cl]+ (phen is 1,10-phenanthroline) and a perchlorate anion, ClO4−, both with point group symmetry 2. The CuII atom has a slightly distorted trigonal–bipyramidal coordination environment, defined by a N4Cl coordination set with the Cl atom and two N atoms at the equatorial sites. …”
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Development of a Neuroevolution Machine Learning Potential of Al-Cu-Li Alloys by Fei Chen, Han Wang, Yanan Jiang, Lihua Zhan, Youliang Yang

“…The results obtained from this potential function are compared with those from Density Functional Theory (DFT) calculations, with training errors of 2.1 meV/atom for energy, 47.4 meV/Å for force, and 14.8 meV/atom for virial, demonstrating high training accuracy. …”
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Computational Investigation of the Electronic and Optical Properties of Planar Ga-Doped Graphene by Nicole Creange, Costel Constantin, Jian-Xin Zhu, Alexander V. Balatsky, Jason T. Haraldsen

“…Using density functional theory with a local density approximation, we simulate the electronic band structure and show the effects of impurity doping (0–3.91%) in graphene on the electron density, refractive index, optical conductivity, and extinction coefficient for each doping percentage. Here, gallium atoms are placed randomly (using a 5-point average) throughout a 128-atom sheet of graphene. …”
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Corrosive behavior of copper canisters under air and aerobic groundwater at early stages of deep geological disposal by Junhyuk Jang, Minsoo Lee, Gha-Young Kim, Seok Yoon

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Compatibility of Environmentally Friendly Insulating Gases CF3I and c-C4F8 with Cu Contacts by Can Ding, Zhenjiang Gao, Xing Hu, Zhao Yuan

“…There is a charge transfer between the F atoms and the Cu top surface. The electrons lost by Cu are transferred to F atoms. …”
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Impact of Strontium and Krypton Release from Ghana’s MNSR following a Conjectural Accident Scenario by S. A. Birikorang, R. G. Abrefah, H. K. Obeng, K. Gyamfi

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Assessing the influence of matcha green tea extract on NF-κB/MAPK signaling pathway activation in rats: A study on irradiation-induced acute hepatic inflammatory response by Noha Sayed Hamed, Eithar K. El Adham, Amal I. Hassan

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Experimental Investigation of Decontamination Factor Dependence on Aerosol Concentration in Pool Scrubbing by Haomin Sun, Yasuteru Sibamoto, Yuria Okagaki, Taisuke Yonomoto

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PRATIC: A soluble-boron-free, pressurized water cooled, SMR core benchmark by Vuiart Romain, Eustache Aimeric, Eveillard Sarah, Prulhière Géraud

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Understanding the influence of hydrogen on BCC iron grain boundaries using the kinetic activation relaxation technique (k-ART) by Aynour Khosravi, Jun Song, Normand Mousseau

“…This study explores the influence of hydrogen atoms on two distinct grain boundaries (GBs), $\Sigma37$ and $\Sigma3$ , in body-centered-cubic (BCC) iron. …”
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Study on electronic evidence acquisition and analysis method over Windows logs by Xiao-mei DONG, Xu-dong LIU, Xiao-hua LI, Ya-jie FEI

“…In order to collect logs in real time,two methods to acquire Windows logs in real time were proposed respectively according to the two types of log file formats.Based on acquiring logs,an approach for correlating log files with atomic attack functions was proposed.After the correlation,atomic attack functions can be analyzed instead of log files,which can greatly decrease the time of analysis.A time based log correlation and event reconstruction method was proposed to reconstruct the computer criminal scenarios.Experimental results show that log evidences can be acquired and the crime process can be reconstructed effectively.…”
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An extrapolation method for polarisability assessments of ion-based optical clocks by M D Barrett, K J Arnold

“…The method explicitly accounts for the frequency dependence of relevant atomic transitions without introducing an ad hoc modelling function. …”
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Formation of alumina-aluminide coatings on ferritic-martensitic T91 steel by Choudhary R.K., Kain V., Hubli R.C.

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A review of metal catalysts for lithium-sulfur battery applications by Shuai Li

“…Metal single atom catalysts have catalytic active sites that are shaped like a single metal atom. …”
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In the Search of Fundamental Inner Bond Strength of Solid Elements by Maziar Sahba Yaghmaee, Reza Riahifar

“…In order to understand the physics behind the surface properties and nano-scale phenomena, we are motivated first to investigate the inner bond strengths as well as the effect of number of neighboring atoms and their relative distance in addition to space positions (crystallography). …”
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Measurement of Velocity and Temperature Profiles in the 1/40 Scaled-Down CANDU-6 Moderator Tank by Hyoung Tae Kim, Jae Eun Cha, Han Seo, In Cheol Bang

“…In order to simulate the CANDU-6 moderator circulation phenomena during steady state operating and accident conditions, a scaled-down moderator test facility has been constructed at Korea Atomic Energy Institute (KAERI). In the present work an experiment using a 1/40 scaled-down moderator tank has been performed to identify the potential problems of the flow visualization and measurement in the scaled-down moderator test facility. …”
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Interaction Mechanisms of Cold Atmospheric Plasmas with HIV Capsid Protein by Reactive Molecular Dynamics Simulation by Ying Sun, Yang Chen, Yuantao Zhang

“…In this study, by introducing the reactive molecular dynamics (MD) simulation, the capsid protein (CA) molecule of HIV was selected as the model to investigate the reaction process upon impact by reactive oxygen species (ROS) from CAP and protein molecules at the atomic level. The simulation results show that ground-state oxygen atoms can abstract hydrogen atoms from protein chains and break hydrogen bonds, leading to the destruction of the disulfide bonds, C–C bonds, and C–N bonds. …”
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