Showing 1 - 20 results of 135 for search '"potential energy"', query time: 0.06s Refine Results
  1. 1

    Prediction of Tetraoxygen Reaction Mechanism with Sulfur Atom on the Singlet Potential Energy Surface by Ashraf Khademzadeh, Morteza Vahedpour, Fereshte Karami

    Published 2014-01-01
    “…The mechanism of S+O4 (D2h) reaction has been investigated at the B3LYP/6-311+G(3df) and CCSD levels on the singlet potential energy surface. One stable complex has been found for the S+O4 (D2h) reaction, IN1, on the singlet potential energy surface. …”
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    Load Deflection Analysis of Beam-Column using Total Potential Energy (TPE) Principle by Manar A. Al-Fadul, Haider H. Darwash, Furat Y. Al-Ghalibi

    Published 2025-02-01
    “…Nonlinear analysis of central finite deflection is carried out using Newton-Raphson iteration that includes high order terms of total potential energy (TPE). The beam-column stability is verified by computing the hessian determinant of the total potential energy. …”
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    Numerical Calculation of Three-Dimensional Ground State Potential Energy Function of Na2F System by Yue Wang, Yu Liu, BiLv Fang, Gan Gao, Chengwen Zhang, Dezhi Dong

    Published 2022-01-01
    “…We present a new three-dimensional global potential energy surface (PES) for the ground state of Na2F system. …”
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    Effect of Physically Realistic Potential Energy Form on Spatial Pattern Complexity in a Collective Motion Model by Austin M. Marcus, Hiroki Sayama

    Published 2023-01-01
    “…Moreover, it is not known how the potential energy interaction between the particles affects the complexity of the patterns. …”
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    A New Approach for Studying Bond Rupture/Closure of a Spiro Benzopyran Photochromic Material: Reactivity Descriptors Derived from Frontier Orbitals and DFT Computed Electrostatic Potential Energy Surface Maps by M. S. A. Abdel-Mottaleb, Sarah N. Ali

    Published 2016-01-01
    “…Furthermore, in an attempt to predict the driving force for MC → SP, this work explores, for the first time, profitable exploitation of the calculated and visualized mapped electrostatic potential energy surfaces (ESP map). Interestingly, it seems that the electrostatic potential forces over the molecular fragments govern spirobond rupture/closure reactions. …”
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    Chemical Lasers Based on Polyatomic Reaction Dynamics: Research of Vibrational Excitation in a Reactive by José Daniel Sierra Murillo

    Published 2025-01-01
    Subjects: “…Wu–Schatz–Lendvay–Fang–Harding potential energy surface…”
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    Application of Computer-Aided Precious Metal Materials in Electrochemistry of Ceramic Jewelry Design by Jing Li

    Published 2022-01-01
    “…This shows that the new analytical potential energy surface accurately reproduces the interactions inside these crystals. …”
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    The Effect of a Tectonic Stress Field on Coal and Gas Outbursts by Fenghua An, Yuanping Cheng

    Published 2014-01-01
    “…To evaluate the outburst tendency, the potential energy of yielded coal mass accumulated during an outburst initiation was studied. …”
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    Influence of Adsorbate Interaction on Transport in Confined Spaces by Suresh K. Bhatia

    Published 2006-03-01
    “…The activation energy and potential energy barriers for diffusion in smooth pores with a one-dimensional potential energy profile are also discussed, indicating the inadequacy of the commonly used assumption of proportionality between the activation energy and heat of adsorption or the minimum pore potential energy. …”
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    Annual Energy Usage Reduction and Cost Savings of a School: End-Use Energy Analysis by Aiman Roslizar, M. A. Alghoul, B. Bakhtyar, Nilofar Asim, K. Sopian

    Published 2014-01-01
    “…Overall, it was found that there is a potential energy reduction and cost saving of 20.7% when the energy conservation measures are earnestly implemented. …”
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