Electronic, Structural, and Optical Properties of Zinc Blende and Wurtzite Cadmium Sulfide (CdS) Using Density Functional Theory by Teshome Gerbaba Edossa, Menberu Mengasha Woldemariam

“…To assure the accuracy of calculation, the convergence test of total energy with respect to energy cutoff and k-point sampling is performed. The relaxed atomic position for the CdS in zb and wz structure is obtained by using total energy and force minimization method following the Hellmann–Feynman approach. …”
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Evaluation of mineral and near-infrared forecasting of wheat yield varieties using spectrophotometric techniques by H.A. Pardhe, N. Krishnaveni, B.K. Chekraverthy, S. Patel, S. Naveen, V. Rashmi, P.C. Govinden

“…Iron concentration ranged from (0.7 to 6.3 milligrams/100 grams) in ultraviolet-visible analysis, (0.7 to 6.74 milligrams/100 grams) in atomic absorption spectrometry, and (0.81 to 6.8 milligrams/100 grams) in inductive coupled plasma-mass spectroscopy. …”
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Avatares de la energía nuclear en Argentina by Milagros Rodríguez

“…Its study shows a special concern as the attitude of the government self-defined “Proceso de Reorganización Nacional” towards the National Atomic Energy Commission (CNEA - Comisión Nacional de Energía Atómica) escaped from the characteristic guidelines of the period. …”
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A new generation of ecocatalysts$^{\text{®}}$—from Invasive Alien Species to sustainable and biosourced glyceryl fatty esters by Lasbleiz, Arthur, Pelissier, Franck, Renault, Jean-Hugues, Grison, Claire M., Legrand, Yves-Marie, Grison, Claude

“…These catalysts were characterized by microwave plasma atomic emission spectrometry (MP-AES) and X-ray powder diffraction (XRPD), which revealed basic properties. …”
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Research and Application Progress of Dual-energy CT in Prostate Lesions by Yize LI, Ziqi CHEN, Luyao ZHANG, Yingmin CHEN

“…DECT not only provides routine anatomical information of lesions, tissues, and organs, but also generates virtual single-energy spectral images, virtual decalcification images, effective atomic number diagrams, iodine maps, electron cloud density maps, and other energy spectral images through post-processing. …”
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Bioinorganic Relevance of Some Cobalt(II) Complexes with Thiophene-2-glyoxal Derived Schiff Bases by Prashant Singh, Shanu Das, Rajesh Dhakarey

“…IR spectra manifest the coordination of the ligand to the metal ion through the carbonyl oxygen, azomethine nitrogen and thienyl sulphur atoms. With the help of electronic spectral data various ligand field parameters were also calculated. …”
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Spectroscopic, Thermal, Electrochemical, and Antimicrobial Studies of Mononuclear Manganese(II) Ditolyldithiophosphates by Ruchi Khajuria, Atiya Syed, Sandeep Kumar, Sushil K. Pandey

“…The presence of a four-and-six coordinated Mn atoms has been established in the complexes and adducts, respectively. …”
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In Silico Study of Ceftaroline’s Molecular Properties by Elso Manuel Cruz Cruz, Eslhey Sánchez Domínguez

“…Molecular properties were calculated according to the Density Functional Theory. Densities of atomic charges and orbital borders were analyzed and compared to the ceftobiprole modeling. …”
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Cadmium, Copper, Lead, and Zinc Contents of Fish Marketed in NW Mexico by Martín G. Frías-Espericueta, Francia K. G. Zamora-Sarabia, J. Isidro Osuna-López, María D. Muy-Rangel, Werner Rubio-Carrasco, Marisela Aguilar-Juárez, Domenico Voltolina

“…To assess if they were within the safety limits for human consumption, the Cd, Cu, Pb, and Zn contents of fish muscles, bought from separate stalls of the fish markets of nine cities of NW Mexico, were determined by atomic absorption spectrophotometry. Considering all fish and markets, the mean contents were Zn: 23.23±5.83, Cu: 1.72±0.63, Cd: 0.27 ± 0.07, and Pb: 0.09 ± 0.04 µg/g (dry weight). …”
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Stress Concentration in the Bulk Cr2O3: Effects of Temperature and Point Defects by Mazharul M. Islam, Thierry Couvant, Philippe Marcus, Boubakar Diawara

“…The investigations were done for periodic bulk models. The data at the atomic scale were extrapolated by using the Universal Binding Energy Relationships (UBERs) model in order to estimate the mechanical behavior of a 10 μm thick oxide scale. …”
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Chiral-magic angle of nanoimprint meta-device by Chen Mu Ku, Zhang Jing Cheng, Leung Cheuk Wai, Sun Linshan, Fan Yubin, Liang Yao, Yao Jin, Liu Xiaoyuan, Yuan Jiaqi, Xu Yuanhao, Tsai Din Ping, Pang Stella W.

“…Moreover, the shape of the meta-atoms plays a key role in chiral magic angle tuning. …”
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Chemical Etching, AFM, Laser Damage Threshold, and Nonlinear Optical Studies of Potential Nonlinear Optical Crystal: Bis (L-Glutamine) Potassium Nitrate by Redrothu Hanumantharao, S. Kalainathan

“…The grown crystal surface has been analyzed by chemical etching and atomic force microscopy (AFM) studies. Amplitude parameters like area roughness, roughness average, valley height, valley depth, peak height, and peak valley height were measured successfully from AFM studies. …”
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Production of solid biofuel via hydrothermal carbonization of wood shavings: Influence of biomass-to-water ratio and carbonization temperature on the fuel characteristics of dried... by Aliyu Mohammed, Iwabuchi Kazunori, Itoh Takanori

“…The higher heating value (HHV) increased to 26.74 MJ/kg as the severity of the reaction was increased to the process temperature of 260 °C. Also, the atomic H/C and O/C ratios of hydrochars carbonised at 230 °C and 260 °C were closed to the regions of a peat and lignite on the plotted van Krevelen diagram. …”
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Preparation and mechanical properties influencing of Ti2AlNb powder alloy by WU Jie, WU Xiaofei, TIAN Kai, YIN Yifeng, CUI Xiaoxiao, LU Zhengguan, XU Lei

“…The hot isostatic pressing process is a usual powder Ti2AlNb alloy preparation method to deeply study the influence of factors such as the powder-making process on the properties of Ti2AlNb powder alloy.Ti2AlNb pre-alloyed powders are prepared by plasma rotating electrode process and electrode induction melting gas atomization， respectively， and their mixed powders are characterized. …”
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Rheological Properties and Microscopic Characterization of Delayed Decay-Modified Asphalt Based on UV Ageing by Hening Gu, Yongqiang Zhu, Yunchu Zhu, Lijing Chu, Qinyuan Peng, Qian Chen

“…The change law of the surface morphology of light stabilizer-modified asphalt was characterized by atomic force microscopy (AFM) dynamically with the UV aging time extension. …”
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Study of Selected Metals Distribution, Source Apportionment, and Risk Assessment in Suburban Soil, Pakistan by Javed Iqbal, Munir H. Shah

“…Composite soil samples collected from suburban areas were analyzed for Cd, Co, Cr, Cu, Fe, Mn, Pb, Sr, and Zn by atomic absorption spectrophotometry. Based on pseudototal metal analysis, Fe, Mn, Sr, and Zn were the prevailing metals while Cd, Co, Cr, and Pb were the least participants. …”
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Accurate Assessment of the Oxygen Reduction Electrocatalytic Activity of Mn/Polypyrrole Nanocomposites Based on Rotating Disk Electrode Measurements, Complemented with Multitechniq... by Patrizia Bocchetta, Carolina Ramírez Sánchez, Antonietta Taurino, Benedetto Bozzini

“…The characterization of Mn/PPy films is addressed to the following: (i) morphology, as assessed by Field-Emission Scanning Electron Microscopy (FE-SEM) and Atomic Force Microscope (AFM); (ii) local electrical conductivity, as measured by Scanning Probe Microscopy (SPM); and (iii) molecular structure, accessed by Raman Spectroscopy; these data provide the background against which the electrocatalytic activity can be rationalised. …”
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Development of a method for determination of metallic iron content within hot briquette iron (HBI) for steelmaking by Morcali M.H.

“…The concentration of iron was determined via Atomic Absorption Spectroscopy (AAS). After the optimization study, high-purity metallic iron powder (Sigma-Aldrich, PubChem Substance ID 24855469) was used to compare efficiencies and identify the optimum conditions; The present study was matched with international standard methods (BS ISO 5416:2006, IS 15774:2007). …”
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Novel Computational Methodologies for Structural Modeling of Spacious Ligand Binding Sites of G-Protein-Coupled Receptors: Development and Application to Human Leukotriene B4 Recep... by Yoko Ishino, Takanori Harada

“…The core idea of the method is that a molecular dynamics simulation is used to calculate average 3D coordinates of all atoms of a GPCR protein against heat fluctuation on the picosecond or nanosecond time scale, and then evolutionary computation including receptor-ligand docking simulations functions to determine the rotation angle of each helix of a GPCR protein as a movement on a longer time scale. …”
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Effects of Silica Nanoparticles and Silica-Zirconia Nanoclusters on Tribological Properties of Dental Resin Composites by Henry A. Rodríguez, Herley Casanova

“…Roughness was measured through atomic force microscopy (AFM) while nanohardness was evaluated by nanoindentation. …”
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