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Prediction of Tetraoxygen Reaction Mechanism with Sulfur Atom on the Singlet Potential Energy Surface
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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Glycolipids as Potential Energy Molecules during Starvation in Climbing Perch, Anabas testudineus (Bloch)
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Load Deflection Analysis of Beam-Column using Total Potential Energy (TPE) Principle
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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Refining potential energy surface through dynamical properties via differentiable molecular simulation
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Numerical Calculation of Three-Dimensional Ground State Potential Energy Function of Na2F System
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
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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DEVELOPMENT OF A GRAVITATIONAL AND PENDULUM SOLAR TRACKER FOR STANDALONE PHOTOVOLTAIC PANELS
Published 2025-01-01Subjects: Get full text
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Hydrolysis Reactions of p-Nitrophenyl Trifluoroacetate and S-Ethyl Trifluorothioacetate
Published 2025-01-01Subjects: Get full text
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Observed Influences of Subpolar Front in the Japan/East Sea on Winter and Spring North Pacific Storm Track Activity
Published 2025-01-01Subjects: Get full text
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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
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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The influence of average daily temperature and air humidity on efficiency of Helio-Cooling Absorption Bromistolithium Machines
Published 2018-06-01Subjects: “…low-potential energy…”
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Aerodynamic energy consumption analysis of divided evacuated tube transportation system
Published 2025-12-01Subjects: Get full text
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Chemical Lasers Based on Polyatomic Reaction Dynamics: Research of Vibrational Excitation in a Reactive
Published 2025-01-01Subjects: “…Wu–Schatz–Lendvay–Fang–Harding potential energy surface…”
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Thermodynamic Analysis and Optimization of Secondary Overheating Parameters in Turbo-Expander Plants on Low Boiling Working Fluids
Published 2021-04-01Subjects: Get full text
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Thermodynamic Analysis of Ozone-Safe Low Boiling Working Media for Turbo-Expander Plants
Published 2020-12-01Subjects: Get full text
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Application of Computer-Aided Precious Metal Materials in Electrochemistry of Ceramic Jewelry Design
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
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
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
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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