Showing 201 - 220 results of 1,928 for search '"atom"', query time: 0.05s Refine Results
  1. 201

    SPACIER: on-demand polymer design with fully automated all-atom classical molecular dynamics integrated into machine learning pipelines by Shun Nanjo, Arifin, Hayato Maeda, Yoshihiro Hayashi, Kan Hatakeyama-Sato, Ryoji Himeno, Teruaki Hayakawa, Ryo Yoshida

    Published 2025-01-01
    “…We developed SPACIER, an open-source software program that incorporates RadonPy, a Python library for fully automated polymer physical property calculations based on all-atom classical molecular dynamics, into a Bayesian optimization-based polymer design system to overcome these challenges. …”
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    Article
  2. 202

    Cation-Specific Effects on the Self-Assembly of Collagen Molecules Mediated by Acetate on Mica Surface Observed with Atomic Force Microscopy by Zhiwei Wang, Qi Xiao, Xuan Song, Yunfei Wan, Jie Zhu

    Published 2017-01-01
    “…In this work, collagen extracted from fish scales by acid-base method was used to explore the self-assembly characters, and atomic force microscopy was applied to observe the collagen assembled on mica surface mediated by acetate with four different cations, including K+, Na+, Mg2+, and Ca2+. …”
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  3. 203

    Modern Interpretation of Periodic Phenomenon by G. N. Fadeev, Yu. A. Lebedev, N. N. Dvulichanskaya

    Published 2019-12-01
    Subjects: “…electronic structure of the atom…”
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  4. 204
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  6. 206

    Adsorption, X-ray diffraction, photoelectron, and atomic emission spectroscopy benchmark studies for the eighth industrial fluid properties simulation challenge by Richard B Ross, David B Aeschliman, Riaz Ahmad, John K Brennan, Myles L Brostrom, Kevin A Frankel, Jonathan D Moore, Joshua D Moore, Raymond D Mountain, Derrick M Poirier, Matthias Thommes, Vincent K Shen, Nathan E Schultz, Daniel W Siderius, Kenneth D Smith

    Published 2016-02-01
    “…These studies included argon, carbon dioxide, and water adsorption in the BAM-P109 activated carbon as well as X-ray diffraction, X-ray microtomography, photoelectron spectroscopy, and atomic emission spectroscopy studies of BAM-P109. …”
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  7. 207
  8. 208

    hERGAT: predicting hERG blockers using graph attention mechanism through atom- and molecule-level interaction analyses by Dohyeon Lee, Sunyong Yoo

    Published 2025-01-01
    “…The hERGAT employs a gated recurrent unit (GRU) with the GAT to learn information between more distant atoms. To confirm this, we performed clustering analysis and visualized a correlation heatmap, verifying the interactions between distant atoms were considered during the training process. …”
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    Article
  9. 209

    Improvement of Mechanical Characteristics on Ultra-High Molecular Weight Polyethylene Surface through Zinc Oxide Atomic Layer Deposition Film by Minpyo Hong, Kyungmin Kim, Yongnam Song

    Published 2022-01-01
    “…In this study, we applied atomic layer deposition (ALD) technique to produce wear-resistant zinc oxide (ZnO) films to improve mechanical and wear characteristics on the surface of UHMWPE. …”
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  10. 210

    Noise and Electrical Oscillations Generation during the Investigation of the Resistive Switching in the Yttria Stabilized Zirconia Films by Conductive Atomic Force Microscopy by Oleg Gorshkov, Dmitry Filatov, Dmitry Antonov, Ivan Antonov

    Published 2015-01-01
    “…The effect of resistive switching in the yttria stabilized zirconia (YSZ) thin films on Si substrates has been studied by Conductive Atomic Force Microscopy (CAFM). The resistive switching of the YSZ films from the low conductive state to the highly conductive one has been found to be associated with the increasing of the noise with broad frequency spectrum related to the redistribution of the oxygen vacancies in YSZ. …”
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  11. 211

    Determination of Trace Amounts of Palladium in Water Samples by Graphite Furnace Atomic Absorption Spectrometry after Dispersive Liquid-Liquid Microextraction by Mohammad Reza Jamali, Yaghoub Assadi, Reyhaneh Rahnama Kozani

    Published 2013-01-01
    “…A simple, rapid, and powerful microextraction technique was used for determination of palladium (II) ion in water samples using dispersive liquid-liquid microextraction (DLLME) followed by graphite furnace atomic absorption spectrometry (GF AAS). The different variables affecting the complexation and extraction conditions such as extraction and disperser solvent type, extraction time, pH, and concentration of chelating agent were optimized. …”
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  12. 212

    Inhibition of Anti-Reflection Film Cracks on Plastic Substrates Using Nanolaminate Layer Deposition in Plasma-Enhanced Atomic Layer Deposition by Chi-Chieh Wang, Cheng-Fu Wang, Meng-Chi Li, Li-Chen Su, Chien-Cheng Kuo

    Published 2024-12-01
    “…This study used plasma-enhanced atomic layer deposition (PEALD) to find the relationship between the intensity of XRD reflection peak and the root-mean-square surface roughness (σ<sub>RMS</sub>) of hafnium dioxide (HfO<sub>2</sub>) at different thicknesses by reducing the plasma power at different process temperatures. …”
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  13. 213

    Dynamic tuning of terahertz atomic lattice vibration via cross-scale mode coupling to nanomechanical resonance in WSe2 membranes by Bo Xu, Zejuan Zhang, Jiaze Qin, Jiaqi Wu, Luming Wang, Jiankai Zhu, Chenyin Jiao, Wanli Zhang, Juan Xia, Zenghui Wang

    Published 2025-01-01
    “…Here, we demonstrate dynamic coupling between atomic lattice vibration and nanomechanical resonances in few-layer WSe2 NEMS. …”
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  16. 216

    Determination of the Levels of Selected Essential Metals in Sycamore (Ficus sycomorus L) Fruit and Seed Using Flame Atomic Absorption Spectrophotometry by Dessie Ashagrie Tafere, Minbale Admas Teshager

    Published 2023-01-01
    “…The concentration of macro (K, Ca, and Mg) and micro essential elements (Fe, Mn, Zn, and Cu) metals in sycamore fruit and seed samples was determined by using a flame atomic absorption spectrophotometer (F AAS). The wet digestion procedure was evaluated using the standard addition (spiking) method, and an acceptable percentage recovery was obtained in the range of 81–119 and 80–118 for the metals in fruit and seed samples, respectively. 0.5 g of oven-dried samples was digested using 10 mL of conc. …”
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  18. 218

    A Green Preconcentration Method for Determination of Cobalt and Lead in Fresh Surface and Waste Water Samples Prior to Flame Atomic Absorption Spectrometry by Naeemullah, Tasneem Gul Kazi, Faheem Shah, Hassan Imran Afridi, Sumaira Khan, Sadaf Sadia Arian, Kapil Dev Brahman

    Published 2012-01-01
    “…After phase separation, based on the cloud point, the surfactant-rich phase was diluted with acidic ethanol prior to its analysis by the flame atomic absorption spectrometry (FAAS). The enhancement factors 70 and 50 with detection limits of 0.26 μg L−1 and 0.44 μg L−1 were obtained for Co and Pb, respectively. …”
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  19. 219

    Flame Atomic Absorption Spectrometric Determination of Trace Amounts of Silver after Solid-Phase Extraction with 2-Mercaptobenzothiazole Immobilized on Microcrystalline Naphthalene by Farid Shakerian, Ali Mohammad Haji Shabani, Shayessteh Dadfarnia, Mahdieh Shabani

    Published 2013-01-01
    “…A simple and sensitive solid-phase extraction (SPE) procedure combined with flame atomic absorption spectrometry (FAAS) was designed for the extraction and determination of trace amounts of silver. …”
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