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Computational illustration of reactions of Cr(CO)3(η6-Naphthalene) complex with C2X2 molecules (X = H, F, Cl)
Published 2025-01-01“…In the current investigation, analysis of two possible reactions of Cr(CO)3(η6-Naphthalene) complex with C2X2 molecules (X = H, F, Cl) was reported at the M06-2X/6-311G (d,p) level of theory. …”
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High-Accuracy and Efficient Simulation of Numerical Control Machining Using Tri-Level Grid and Envelope Theory
Published 2025-01-01“…Under these circumstances, this paper presents an effective volumetric method that can accurately provide the required geometric information with high and stable computational efficiency under the condition of high grid resolution. …”
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A Framework for Distributed Orchestration of Cyber-Physical Systems: An Energy Trading Case Study
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Understanding Dioxygen Activation in the Fe(III)-Promoted Oxidative Dehydrogenation of Amines: A Computational Study
Published 2025-01-01“…We employ density functional theory (DFT) to understand the reaction mechanism of the oxidative dehydrogenation (ODH) of the pyridyl-amine complex [Fe<sup>III</sup>L<sup>3</sup>]<sup>3+</sup> (L<sup>3</sup>, 1,9-bis(2′-pyridyl)-5-[(ethoxy-2″-pyridyl)methyl]-2,5,8-triazanonane) to the mono-imine complex [Fe<sup>II</sup>L<sup>4</sup>]<sup>2+</sup> (L<sup>4</sup>, 1,9-bis(2′-pyridyl)-5-[(ethoxy-2″-pyridyl)methyl]-2,5,8-triazanon-1-ene) in the presence of dioxygen. …”
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Configraphics
Published 2016-09-01“… This dissertation reports a PhD research on mathematical-computational models, methods, and techniques for analysis, synthesis, and evaluation of spatial configurations in architecture and urban design. …”
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Fast Type-II Hartley Transform Algorithms for Short-Length Input Sequences
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The resource theory of tensor networks
Published 2024-12-01“…We also provide obstructions to the existence of such transformations by extending a variety of methods originally developed in algebraic complexity theory for obtaining complexity lower bounds. …”
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Openings: the Act of Modelizing and the Question of Complexity
Published 2010-02-01“…Richard Powers’ novels are commonly associated with “systems novels” as Tom LeClair first described them, notably because of the constant compositional use the novelist makes of different extra-textual systems (including various fields such as biology, computer science, or more extensively chaos theory).To what extent do those modelized systems, apparently meant to supply structuring tools to readers keen for interpretive keys, contribute to the novels’ inner complexity, and how does their installation in the texts take place? …”
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Compression theory for inhomogeneous systems
Published 2024-11-01“…Abstract The physics of complex systems stands to greatly benefit from the qualitative changes in data availability and advances in data-driven computational methods. …”
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Modelling Qualia with Physical Computers
Published 2024-12-01“…Even exclusively physical computer systems are not capable of predicting their own sensory information if they are built using a specific structure and complexity. …”
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Numerical Analysis of Wave Interference Effects on Ship Resistance in Parallel Arrangements
Published 2024-12-01“…This study investigated the resistance of ships arranged in parallel formations using both theoretical and numerical methods. Thin ship theory and computational fluid dynamics (CFD) simulations were employed to analyze the wave interference effects among multiple advancing ships. …”
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The Role of Computer in Design Ideation
Published 2022-06-01“…Lawson, a thinker of design theories, stated that the computer makes the idea look unrealistically good and leads to a false instead of real creativity. …”
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Cooperation Mechanism in Blockchain by Evolutionary Game Theory
Published 2021-01-01“…To better understand the blockchain design of cooperation mechanisms, in this paper, we constructed a game framework between participants with different willingness, using evolutionary game theory, and complex network games. We analyzed how the behavior of participants potentially develops with cost and payoff. …”
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