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    Spectroscopic, quantum chemical, and topological calculations of the phenylephrine molecule using density functional theory by Mukesh Khadka, Manoj Sah, Raju Chaudhary, Suresh Kumar Sahani, Kameshwar Sahani, Binay Kumar Pandey, Digvijay Pandey

    Published 2025-01-01
    “…Using these properties, the possibility of different charge transfers occurring within the molecule was evaluated. The calculated values of the energy gap from HOMO-LUMO mapping, illustrated in Frontier Molecular Orbitals (FMO) and Density of State (DOS), were found to be similar for both the neutral and anion states in the gaseous and water solvent phases. …”
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  4. 524

    First-Principles Calculation of Conductivity of Ce-C Codoped SnO2 Contacts by Can Ding, Zhenjiang Gao, Xing Hu, Zhao Yuan

    Published 2021-01-01
    “…This research is based on the first-principles analysis method of density functional theory. The article calculated the lattice constant, enthalpy change, energy band, electronic density of state, charge density distribution, population, and conductivity of Ce, C single-doped, and Ce-C codoped SnO2 systems. …”
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  5. 525

    RESEARCH AND VERIFICATION OF CONTACT STRESS CALCULATION METHOD FOR FIVE-BALL FATIGUE TESTING MACHINE by JIAO Yan, YU QingJie, HAN Song, LIU JinLing, ZHAO SiYang

    Published 2021-01-01
    “…To accurately calculate the contact stress of the five-ball fatigue testing machine tooling,the tooling design contact angle is determined by the geometric size relationship. …”
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    Article
  6. 526

    Resonant Frequency Calculation and Optimal Design of Peano Fractal Antenna for Partial Discharge Detection by Jian Li, Changkui Cheng, Lianwei Bao, Tianyan Jiang

    Published 2012-01-01
    “…The approximate formula for calculating the first resonant frequency of the Peano fractal antenna is presented. …”
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  7. 527
  8. 528

    Research on Calculation Method of Gear Tooth Thermal Deformation Based on the Equivalent Gear Method by Gao Xuepeng, Jiang Qinchen, Xiao Yang, Zhang Quanqing, Qiao Zheye

    Published 2024-03-01
    “…Based on the calculation method of thermal deformation of spur gears, a calculation and analysis model of thermal deformation with equivalent spur gears as the object is formed. …”
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  9. 529

    ViPErLEED package I: Calculation of I(V) curves and structural optimization by Florian Kraushofer, Alexander M. Imre, Giada Franceschi, Tilman Kißlinger, Erik Rheinfrank, Michael Schmid, Ulrike Diebold, Lutz Hammer, Michele Riva

    Published 2025-01-01
    “…Here, the focus is on the computational part of ViPErLEED, which performs highly automated LEED-I(V) calculations and structural optimizations. Minimal user input is required, and the functionality is significantly enhanced compared to existing solutions. …”
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  10. 530
  11. 531

    Calculation and Optimal Design of Rotor Shaft Torsional Vibration of a Helicopter Transmission System by De Ni, Tuanjie Zhong, Jing Wei, Miaofei Cao, Bin Peng

    Published 2022-01-01
    “…The torsional vibration safety margin of the optimized shaft system reaches more than 10%,and the torsional vibration characteristics are effectively improved. The calculation and optimization methods have certain guiding significance for the improved design of the rotor shafting of the helicopter transmission system.…”
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  12. 532

    Calculation and Control Methods for Equivalent Resilient Modulus of Subgrade Based on Nonuniform Distribution of Stress by Yongsheng Yao, Junfeng Qian, Jue Li, Anshun Zhang, Junhui Peng

    Published 2019-01-01
    “…Firstly, the soil density of different layers of the subgrade structure is calculated by the degree of compaction of different subgrade layers. …”
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  13. 533

    Analysis of Wind Data, Calculation of Energy Yield Potential, and Micrositing Application with WAsP by Fatih Topaloğlu, Hüseyin Pehlivan

    Published 2018-01-01
    “…The parameters required for building a wind power plant have been calculated using the fuzzy logic method by means of Wind Atlas Analysis and Application Program (WAsP) in this study. …”
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  14. 534

    Adsorption of Phenols from Different Solvents on Graphene: Semi-Empirical Quantum Mechanical Calculations by Pablo Húmpola, Héctor S. Odetti, Alberto G. Albesa, José L. Vicente

    Published 2013-04-01
    “…The adsorption of phenol from aqueous solutions on carbon surfaces is discussed from different theoretical points of view, such as Monte–Carlo simulations, semi-empirical calculations, density functional theory and molecular dynamics. …”
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  15. 535

    Calculating Recommended Fertilizer Rates for Vegetables Grown in Raised-Bed, Mulched Cultural Systems by George Hochmuth, Edward Hanlon

    Published 2009-08-01
    “…Minor Revision: August 2012. SL 303/SS516: Calculating Recommended Fertilizer Rates for Vegetables Grown in Raised-Bed, Mulched Cultural Systems (ufl.edu) …”
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  16. 536

    Calculation and Analysis of Nonlinear Algorithm for Stability of Nanosilica Powder Soft Soil Pile Foundation by Jinbo Sun, Li Guo, Liang Gong, Fei Zheng, Hao Hao

    Published 2022-01-01
    “…In the standard method, the empirical coefficient 1.1–1.7 is multiplied on the basis of the calculation result of this method to correct the calculation error. …”
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    A Calculation Method of Dynamic Parameters of Rotating Arm Bearings Considering the Synthetic Clearance by Xuan Liang, Wan Zefu, Yi Yuanyuan, Hong Wenxiong

    Published 2023-02-01
    “…Thus, taking the rotating arm bearing of RV reducers as the research object and considering the geometric parameters of the rotating arm bearing and the change of physical parameters under the working condition, a dynamic calculation model of the rotating arm bearing is established. …”
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  19. 539

    Calculation and Research of Transmission Efficiency of Gear with Addendum Modification based on Roll-off Angle by Wang Yixinyu, Tang Jinyuan

    Published 2015-01-01
    “…Based on the power method,the roll-off angle is introduced to measure the position of meshing point,and the function relation formula between the modification coefficient and meshing efficiency is derived.The calculation formulation of modification coefficient of the maximum transmission efficiency is put forward through deriving the relation on the basis of extremism value principle for functions.Through the comparing with the experimental results of available literatures,can get to know that the numerical results of the calculation of modification coefficient and transmission efficiency are in good agreement with the experimental results of available literatures.A base for quantitative calculation of the initiative design of gear with addendum modification transmission efficiency is provided through the research work,and it has a certain reference value to the research and application for the gear with addendum modification.…”
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  20. 540

    Calculation of Reinforced Concrete Frames for a Special Design Situation with Discrete Crack Modeling by S. Yu. Savin, T. A. Iliushchenko

    Published 2024-06-01
    “…The methodology of calculation of reinforced concrete frames of buildings for a special design situation caused by initial local failures, taking into account the violation of the continuity of the concrete matrix during crack formation, is proposed. …”
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