Estimation of the probability of failure during operation of a prefabricated cutting tool with replaceable polyhedral plates by nonparametric statistics methods by K. V. Syzrantseva, N. A. Vasilega

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An Experimental and Quantum Chemical Calculation Study on the Performance of Different Types of Ester Collectors by Di Wu, Jianhua Chen, Yuqiong Li

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DFT + U study of structural, electronic, optical and magnetic properties of LiFePO4 Cathode materials for Lithium-Ion batteries by A K Wabeto, K N Nigussa, L D Deja

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Density Functional Theory plus U Study of Methanol Adsorption and Decomposition on CuO Surfaces with Oxygen Vacancy by Lu Liu, Peng Gong, Guangcai Shao, Pengfei Liu, Junfeng Wang

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First‐Principles Study of Twin Boundaries and Stacking Faults in β‐Ga2O3 by Mengen Wang, Sai Mu, James S. Speck, Chris G. Van de Walle

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Structural, electronic and magnetic properties of Fe2TiP full-Heusler compound: A first-principles study by Reza Sarhaddi

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Denoising MEMS accelerometer sensors based on L2‐norm total variation algorithm by R. Abbasi‐Kesbi, A. Nikfarjam

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Efficient recovery of rare metal lanthanum from water by MOF-modified biochar: DFT calculation and dynamic adsorption by Qilan Huang, Qianru Zhang, Shuwen Zhao, Chuchen Zhang, Huixin Guan, Jianqiao Liu

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ONE OF THE WAYS OF PROCESSING AND ANALYSIS OF RESULTS OF THE PEDAGOGICAL EXPERIMENT by Elena N. Ryabinova, Yulia V. Gumennikova, Ruzilya N. Chernitsina

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Density functional theory study of Mg–Ho intermetallic phases by Yang Yuting, He Mengqin, Luo Yi, Gu Yuhang, Ding Yunfei

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Synthesis and structural characterization of s-triazine derivatives and their photophysical properties by Hessa H. Al-Rasheed, Sizwe J. Zamisa, Ihab Shawish, Assem Barakat, Ayman El-Faham, Beatriz G. de la Torre, Fernando Albericio, Anamika Sharma

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The Impact of Carbon on Electronic Structure of N-Doped ZnO Films: Scanning Photoelectron Microscopy Study and DFT Calculations by Elzbieta Guziewicz, Sushma Mishra, Matteo Amati, Luca Gregoratti, Oksana Volnianska

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Quantum mechanical study of the influence of noble metals on the process of reduction of uranium oxides by A.S. Vorob'ev, A.Y. Galashev, Yu P. Zaikov

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Many-body expansion based machine learning models for octahedral transition metal complexes by Ralf Meyer, Daniel B K Chu, Heather J Kulik

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Virtual screening of n-type organic semiconductors using exhaustive band structure calculations by Tomoharu Okada, Wataru Fujiwara, Hiroshi Katagiri, Hiroyuki Matsui

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Two-dimensional XMoSiP2/BP (X= S, Se) Heterostructures as Efficient Photocatalysts for Overall Water Splitting by Somayeh Gholami Rudi, Nayereh Ghobadi, Samaneh Soleimani-Amiri

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Local control of S atoms on the Co-SACs for effective activation of PMS and degradation imidacloprid: Mechanism insights and toxicity evaluation by Zehua Wang, JiaoXue Yang, Guochun Lv, Xiaomin Sun, Hongjie Wang

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Chemical, Spectral, Biological, and Toxicological Studies of Some Benzene Derivatives Used in Pharmaceuticals: In Silico Approach by Emranul Kabir, M R O Khan Noyon, Md Rabiul Alam, Mr. Nasiruddin, Sajia Islam, Mahima Akter, Monir Uzzaman

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Thermodynamics of Liquid Uranium from Atomistic and Ab Initio Modeling by Alexander Landa, Per Söderlind, John Roehling, Joseph T. McKeown

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Material Properties of n‐Type β‐Ga2O3 Epilayers with In Situ Doping Grown on Sapphire by Metalorganic Chemical Vapor Deposition by Fu‐Gow Tarntair, Chih‐Yang Huang, Siddharth Rana, Kun‐Lin Lin, Shao‐Hui Hsu, Yu‐Cheng Kao, Singh Jitendra Pratap, Yi‐Che Chen, Niall Tumilty, Po‐Liang Liu, Ray‐Hua Horng

Subjects: “…density functional theory…”
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