Synthesis and Characterization of PPV Monomer for Subsequent Electropolymerization by Álvaro Fontana, Fábio Santana dos Santos, Flávia Aparecida Fonseca, Adonilson Dos Reis Freitas, Andersson Barison, Jarem Raul Garcia

“…Organic synthesis of the monomer of poly(p-phenylenevinylene) was performed starting by the 2,5-dimethylphenol compound. An iodine atom was added to one end of the aromatic ring and then the iodine atom was substituted by a cyano group. …”
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Application of Adaptive Image Restoration Algorithm Based on Sparsity of Block Structure in Environmental Art Design by Bo Liang, Xin-xin Jia, Yuan Lu

“…In traditional sparse representation image restoration algorithms, the size of dictionary atoms is often fixed. When repairing the texture area, the dictionary atom will be too large to cause blurring. …”
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Study on the Simulation Method of the Ground Test in the Arc-Heated Wind Tunnel by Wanqing Luo, Yuanjian Yang, Jianhan Liang, Songhe Zhang, Yilei Shi

“…In addition, the oxygen atom mass fraction after the shock wave in the ground test is higher than that in the corresponding flight condition. …”
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Testing an Electronic Patient-Reported Outcome Platform in the Context of Traumatic Brain Injury: PRiORiTy Usability Study by Christel McMullan, Grace Turner, Ameeta Retzer, Antonio Belli, Elin Haf Davies, Laura Nice, Luke Flavell, Jackie Flavell, Melanie Calvert

“…MethodsAtom5 was customized to enable individuals with TBI to report their symptoms. …”
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Synthesis and Characterization of Oxozirconium(IV), Dioxomolybdenum(VI) and Dioxotungsten(VI) with Ciprofloxacin and Norfloxacin Complexes by Khalaf I. Khallow, Amaal Y. R. Al-Assaf

“…FTIR spectra of both types of complexes suggest that CIP and NOR act as deprotonated bidentate ligands through the ring carbonyl oxygen atom and one of the oxygen atom of carboxylic group.…”
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B3LYP Study on Reduction Mechanisms from O2 to H2O at the Catalytic Sites of Fully Reduced and Mixed-Valence Bovine Cytochrome 𝑐 Oxidases by Yasunori Yoshioka, Masaki Mitani

“…At the final stage of formation of first water molecule, the Cu(I) atom releases an electron to Fe-O. During the process of formation of second water molecule, the Cu atom maintains the oxidized state Cu(II). …”
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Density Functional Theory Investigation into the B and Ga Doped Clean and Water Covered γ-Alumina Surfaces by Lihong Cheng, Tianliang Xu, Wenkui Li, Zhiqin Chen, Jianping Ai, Zehua Zhou, Jianwen Liu

“…The results show that the substitution of surface Al atom by B atom is not so favored as Ga atom. The substitution reaction prefers to occur at the tricoordinated A(4) sites. …”
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PERHITUNGAN NUMERIK RAPAT KEADAAN GRAPHENE BILAYER DENGAN MODEL TIGHT-BINDING MENGGUNAKAN METODE RAMBATAN WAKTU TROTTER-SUZUKI by Wahyu Setiawan

“…Semakin banyak atom yang ditinjau, semakin teratur perhitungan rapat keadaan yang dihasilkan. …”
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Modeling of structural and thermodynamics properties of sigma-phase for the Fe-Cr system by Udovskya A., Kupavtseva M.

“…The three- sub-lattice model (3SLM) for description of atom’s distribution of two components with different coordination numbers (12, 14 and 15), into s-phase structure depended on composition and temperature is depictured in this paper. …”
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Hydrogen Storage Materials: Promising Materials for Kazakhstan’s Hydrogen Storage Industry by S. Abdimomyn, S. Malik, M. Skakov, Y. Koyanbayev, A. Miniyazov, F. Malchik

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A DFT Study of Structural and Bonding Properties of Complexes Obtained from First-Row Transition Metal Chelation by 3-Alkyl-4-phenylacetylamino-4,5-dihydro-1H-1,2,4-triazol-5-one a... by Hubert Jean Nono, Désiré Bikélé Mama, Julius Numbonui Ghogomu, Elie Younang

“…Geometry optimizations have been performed in gas-phase and solution-phase (water, benzene, and N,N-dimethylformamide (DMF)) with B3LYP/Mixed I (LanL2DZ for metal atom and 6-31+G(d,p) for C, N, O, and H atoms) and with B3LYP/Mixed II (6-31G(d) for metal atom and 6-31+G(d,p) for C, N, O, and H atoms) especially in the gas-phase. …”
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Structural, Electronic, Elastic, Mechanical, and Opto-Electronic Properties for ZnAg2SnS4 and ZnAg2Sn0.93Fe0.07S4 Photocatalyst Effort on Wastewater Treatment through the First Pri... by Mohammad Jahidul Islam, Md. Sabbir Hasan Sohag, Unesco Chakma, Ajoy Kumer, Md. Monsur Alam, Mohammed Nazrul Islam Khan

“…When the Ge (ZnAg2GeS4) atom has been swapped out by a Sn (ZnAg2SnS4) atom, the changes in band gap is noticeable, which rises from 0.94 eV to 1.15 eV with the same geometry and surface area. …”
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Synthesis, Structural Characterization, and Electrochemical Studies of New Oxovanadium(V) Complexes Derived from 2-Furanoylhydrazon Derivatives by Rahman Bikas, Hassan Hosseini-Monfared, Erwann Jeanneau, Behrouz Shaabani

“…In the complexes 1, 2, and 3 the conformation of 2-furanyl oxygen atom relative to the carbohydrazide oxygen atom is s-anti, s-anti/s-syn, and s-syn at 293 K, respectively. …”
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Decoherence-enabled unconditional strongly sub-Poissonian squeezing by Qing Xu, Ke Zhang, Xiaobo Shen, Haijun Yu, Jiabing Zhu

“…The interactions with the atom make no contribution to the preparation of squeezed light. …”
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Topological Indices of the Pent-Heptagonal Nanosheets VC5C7 and HC5C7 by Fei Deng, Xiujun Zhang, Mehdi Alaeiyan, Abid Mehboob, Mohammad Reza Farahani

“…In this paper, we computed the topological indices of pent-heptagonal nanosheet. Formulas for atom-bond connectivity index, fourth atom-bond connectivity index, Randić connectivity index, sum-connectivity index, first Zagreb index, second Zagreb index, augmented Zagreb index, modified Zagreb index, hyper Zagreb index, geometric-arithmetic index, fifth geometric-arithmetic index, Sanskruti index, forgotten index, and harmonic index of pent-heptagonal nanosheet have been derived.…”
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On the Electronic Effect of V, Fe, and Ni on MgO(100) and BaO(100) Surface: An Explanation from a Periodic Density Functional by Rafael Añez, Aníbal Sierraalta

“…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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Preparation and Study of Some Mn(II), Co(II), Ni(II), Cu(II), Cd(II) and Pb(II) Complexes Containing Heterocyclic Nitrogen Donor Ligands by Shayma A. Shaker

“…SCN was coordinated with the metal ions through the nitogen atom.…”
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Preparation and Spectral Properties of Mixed-Ligand Complexes of VO(IV), Ni(II), Zn(II), Pd(II), Cd(II) and Pb(II) with Dimethylglyoxime and N-acetylglycine by Shayma A. Shaker

“…The IR and (1H, 13C) NMR spectra which have indicate that the dimethylglyoxime was coordinated with the metal ions through the N and O atoms of the oxime group and N-acetylglycine was coordinated with metal ions through the N atom and terminal carboxyl oxygen atom.…”
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Theoretical Study about the Effect of Halogen Substitution on the Reactivity of Antitumor 3-Formylchromones and Their Free Radicals by Maximiliano Martínez-Cifuentes, Boris Weiss-López, Ramiro Araya-Maturana

“…The mandatory presence of a chlorine atom on the aromatic ring of 6-hydroxy-3-formyl angular chromones, on the respiration inhibition of mammary carcinoma mouse, is explained through a computational study of these compounds. …”
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Synthesis of Bioactive Fluorinated 10H-Phenothiazines and their Sulfone Derivatives by Yogesh Dixit, Rahul Dixit, Naveen Gautam, D. C. Gautam

“…Substituted 2-foramido-2´-nitrodiphenylsulfide were obtained by the reaction of 2-amino-3-fluorobenzenethiol with o-halonitrobenzenes followed by formylation and 1-nitro/1-halo-10H-phenothiazines have been prepared by the reaction of substituted 2-aminobenzenethiols with reactive o-halonitrobenzene containing a nitro group or halogen atom at o-position to the reactive halogen atom directly yielded 1-nitro/1-halo-10H-phenothiazines in situ. 10H-phenothiazine sulfone derivatives have been synthesized by the oxidation of 10H-phenothiazines by 30% hydrogen peroxide in glacial acetic acid. …”
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