Critical Node Identification for Cyber–Physical Power Distribution Systems Based on Complex Network Theory: A Real Case Study by Mehdi Doostinia, Davide Falabretti, Giacomo Verticale, Sadegh Bolouki

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Structure–Function Relationship of Novel Tetrakis (Mercapto-Terphenyl)Benzene Cobalt (II) Phthalocyanines: Synthesis and Computational Evaluation by Sevil Sener, Nursel Acar-Selcuki

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Stability analysis of surrounding rocks of deeply-buried underground chambers based on the improved block theory and simulation using unwedge computer program by Fugui Tao, Anyi Lan, Lei Han, Xudan Sun, Zhixi Liu

“…Additionally, the Unwedge computer program is employed to conduct visual simulations of block theory applications, thereby enhancing the ease of utilizing block theory. …”
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A Computational and Structural Database Study of the Metal-Carbene Bond in Groups IA, IIA, and IIIA Imidazol-2-Ylidene Complexes by Samuel Tetteh

“…Generally, the metal ions show preference for tetrahedral coordination with larger cations forming complexes with higher coordination numbers. For their high number of entries (101), tetrahedrally coordinated boron complexes with various electron withdrawing and electron donating groups were studied computationally at the DFT/B3LYP level of theory. …”
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Overview on game reinforcement learning methods for edge computing of low-orbit constellation by GU Xueqiang, ZHANG Wanpeng, TAN Siyu, LUO Junren, ZHOU Yanzhong

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Computational Insights into the Electronic, Optical, and Reactivity Behavior of Halogenated Phenanthrene Derivatives by Rebaz A. Omer, Khdir A. Othman, Yousif H. Azeez, Aryan F. Qader

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Where are higher-order cognitive functions? The paradox of non-locality in awake cognitive mapping using a complex dynamic system framework by Jesús Martín-Fernández, Jesús Martín-Fernández, Jesús Martín-Fernández, Nayra Caballero-Estebaranz, Nayra Caballero-Estebaranz, Nayra Caballero-Estebaranz, Esteban Félez, Esteban Félez, Natalia Navarro-Peris, Pedro Pérez del Rosario, Pedro Pérez del Rosario, Raúl Hernández Bisshopp, Jaime Domínguez-Báez

“…An illustrative case involving a right parietal glioma demonstrates how this methodology integrates computational neuroscience, network theory, and clinical practice to achieve optimal functional preservation and maintain the patient’s quality of life.…”
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AI, big data, and quest for truth: the role of theoretical insight by Tuba Bircan

“…Being positioned at the intersection of AI, data science, and social theory, this paper illuminates the complexities of our digital era and inspires a re-evaluation of the methodologies and ethics guiding our pursuit of knowledge.…”
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Quantum Game Theory-Based Cloud Resource Allocation: A Novel Approach by Anjan Bandyopadhyay, Utkarsh Choudhary, Vaibhav Tiwari, Kaushtab Mukherjee, Sapthak Mohajon Turjya, Naim Ahmad, Abid Haleem, Saurav Mallik

“…This paper explores the application of quantum game theory to optimize cloud resource allocation. By leveraging the principles of quantum mechanics, the proposed framework aims to enhance efficiency, reduce costs, and improve scalability in cloud computing environments. …”
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Density functional theory and molecular dynamics simulation-based bioprospection of Agathosma betulina essential oil metabolites against protein tyrosine phosphatase 1B for interve... by Oluwaseye Adedirin, Rukayat A. Abdulsalam, Khadeejah O. Nasir-Naeem, Ayenitaju A. Oke, Akolade O. Jubril, Saheed Sabiu

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A genetic algorithm to generate maximally orthogonal frames in complex space by Sebastián Roca-Jerat, Juan Román-Roche

“…Frames find applications in signal processing and quantum information theory. We present a genetic algorithm that can generate maximally orthogonal frames (MOFs) of arbitrary size n in d -dimensional complex space. …”
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Elements of computer modelling: 12 studies for beginners. Study 1: Models and modelling by Illia O. Teplytskyi, Serhiy O. Semerikov

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Child-therapist acoustic synchrony and response trajectories in autism intervention: an AI-based automated analysis using dynamic systems theory and affective computing by Giulio Bertamini, Silvia Perzolli, Arianna Bentenuto, Cesare Furlanello, Mohamed Chetouani, David Cohen, Paola Venuti

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SYNTHESIS AND PROPERTIES COMPARISON OF MESO-ARYLPORPHYRINS METAL COMPLEXES AS POTENTIAL DYES FOR SOLAR CELLS by A. V. Ezhov, F. Yu. Vyalba, K. A. Zhdanova, A. F. Mironov, K. Yu. Zhizhin, N. A. Bragina

“…For all the obtained dyes, geometry optimization and visualization of the electron density distribution were carried out using computational methods based on the density functional theory (DFT). …”
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Correlation between calculated electronic properties and antibacterial activity of chiral amino acid schiff base copper(II) complexes by Mao Narita, Yuma Yamamoto, Daisuke Nakane, Takashiro Akitsu, Brice Rostan Pinlap, Boniface Pone Kamdem, Fabrice Fekam Boyom

“…These results highlight the importance of combining global electronic descriptors with local binding interactions in evaluating biological activity. This integrated computational–experimental approach provides a valuable framework for rational design of bioactive metal complexes with improved antibacterial properties. …”
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Graph-theoretic and computational analysis of QSAR molecular descriptors for single chain diamond silicates by S. Mohankumar, P. Sivakumar, S. Priyatharshni

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Computational illustration of reactions of Cr(CO)3(η6-Naphthalene) complex with C2X2 molecules (X = H, F, Cl) by Seyed Mahdi Mirtaheri, Reza Ghiasi, Mohsen Zeeb, Hossein Anaraki-Ardakani

“…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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A novel optimized computational approach to investigate the motion of a single-walled carbon nanotube conveying fluid flow by J. Vahidi, S.M. Golmaei, Morteza Jamshidi

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A Framework for Distributed Orchestration of Cyber-Physical Systems: An Energy Trading Case Study by Kostas Siozios

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Designing Equilibria in Concurrent Games with Social Welfare and Temporal Logic Constraints by Julian Gutierrez, Muhammad Najib, Giuseppe Perelli, Michael Wooldridge

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