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  1. 1281
    “…[Image: see text] While the domain-based local pair natural orbital coupled-cluster method with singles, doubles, and perturbative triples (DLPNO-CCSD(T)) has proven instrumental for computing energies and properties of large and complex systems accurately, calculations on first-row transition metals with a complex electronic structure remain challenging. …”
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    Exploring the Accuracy Limits of PNO-Based Local Coupled-Cluster Calculations for Transition-Metal Complexes
  2. 1282
    “…Life in complex systems, such as cities and organisms, comes to a standstill when global coordination of mass, energy, and information flows is disrupted. …”
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    Self-organized intracellular twisters
  3. 1283
    “…However, this is dependent on the existence of force field models that are sufficiently accurate while being computationally efficient enough to sample complex systems. Here, we introduce a revised force field for aqueous alkaline earth metal carbonates that reproduces both the solubilities of the crystalline anhydrous minerals, as well as the hydration free energies of the ions. …”
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    Solubility-consistent force field simulations for aqueous metal carbonate systems using graphical processing units
  4. 1284
    por Tsallis, Constantino
    Publicado 2023
    “…However, recent decades have seen a proliferation of natural, artificial and social complex systems which defy its bases and make it inapplicable. …”
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    Senses along Which the Entropy S(q) Is Unique
  5. 1285
    “…We propose that a multiscale modelling bottom-up approach (piecing together sub-systems to give rise to more complex systems) can be used as a framework to generate mechanistic hypotheses and theories (in-silico bottom-up methodology). …”
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    Multiscale models driving hypothesis and theory-based research in microbial ecology
  6. 1286
    “…Highly multiplexed protein measurements from multiple spatial scales using fluorescence microscopy recently emerged as a powerful way to investigate tumor microenvironments in biomedicine and the multivariate nature of complex systems’ interactions. A range of methods for this exist, which either rely on directly labeling the primary antibody with oligonucleotides/rare metals or employing methods to remove fluorescence for cyclic acquisition. …”
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    Iterative Indirect Immunofluorescence Imaging (4i) on Adherent Cells and Tissue Sections
  7. 1287
    “…The study highlights the promising potential of shape memory alloys in engineering applications and demonstrates the ability to use them in complex systems with accurate simulations.…”
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    Shape Memory Alloys Applied to Automotive Adaptive Aerodynamics
  8. 1288
    “…Heterogeneity among interacting units plays an important role in numerous biological and man-made complex systems. While the impacts of heterogeneity on synchronization, in terms of structural mismatch of the layers in multiplex networks, has been studied thoroughly, its influence on intralayer synchronization, in terms of parameter mismatch among the layers, has not been adequately investigated. …”
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    Synchronization Induced by Layer Mismatch in Multiplex Networks
  9. 1289
    por Chen, Li-Hua
    Publicado 2023
    “…He is a scientist who has been working on exploring complex systems in chemical engineering by multi-scale methodology for more than 30 years. …”
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    The future of carbon neutrality from a scientific research perspective: an interview with Jing-Hai Li
  10. 1290
    por Sigawi, Tal, Ilan, Yaron
    Publicado 2023
    “…In the present paper, we review the role of noise in complex systems and its use in bioengineering. We describe the use of digital twins for medical applications and current methods for dealing with noise and uncertainties in modeling. …”
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    Using Constrained-Disorder Principle-Based Systems to Improve the Performance of Digital Twins in Biological Systems
  11. 1291
    por Hanel, Rudolf, Thurner, Stefan
    Publicado 2023
    “…Complex systems with strong correlations and fat-tailed distribution functions have been argued to be incompatible with the Boltzmann-Gibbs entropy framework and alternatives, so-called generalised entropies, were proposed and studied. …”
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    Equivalence of information production and generalised entropies in complex processes
  12. 1292
    “…EVB is a fast and reliable method that allows one to determine the reaction free-energy profiles in complex systems, such as enzymes, by employing classical force fields to represent a chemical reaction. …”
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    Efficient Empirical Valence Bond Simulations with GROMACS
  13. 1293
    “…To this aim, it suggests the use of a recently introduced «limiting form» of the kinetic-theoretic language, at present widely used to describe complex systems of objects of the most diverse nature. …”
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    A Dynamic Probabilistic Model for Heterogeneous Data Fusion: A Pilot Case Study from Computer-Aided Detection of Depression
  14. 1294
    “…Here, we discuss the dynamical network biomarkers (DNB) theory, which allows for the prediction of state transition in complex systems such as living organisms, as well as usage of Raman spectroscopy that offers a non-invasive and label-free imaging, and provide a perspective on potential applications for the study of aging.…”
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    New Possibilities for Evaluating the Development of Age-Related Pathologies Using the Dynamical Network Biomarkers Theory
  15. 1295
    “…Phase diagrams are powerful tools to understand the multi-scale behaviour of complex systems. Yet, their determination requires in practice both experiments and computations, which quickly becomes a daunting task. …”
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    Using the Intrinsic Geometry of Binodal Curves to Simplify the Computation of Ternary Liquid–Liquid Phase Diagrams
  16. 1296
    “…[Image: see text] Recently, there have been remarkable improvements in pulsed ESR sensitivity, paving the way for broader applicability of ESR in the measurement of biological distance constraints, for instance, at physiological concentrations and in more complex systems. Nevertheless, submicromolar distance measurements with the commonly used nitroxide spin label take multiple days. …”
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    Double Quantum Coherence ESR at Q-Band Enhances the Sensitivity of Distance Measurements at Submicromolar Concentrations
  17. 1297
    por Xu, Jing, Chen, Xi, Wen, Lei, Zhang, Jiang
    Publicado 2023
    “…Many studies have shown that scaling laws widely exist in various complex systems, such as living organisms, cities, and online communities. …”
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    Company scaling and its deviations: New indicators for enterprise evaluation and bankruptcy prediction
  18. 1298
    por Nason, Richard
    Publicado 2023
    “…The problem this article addresses is that complex systems and how to manage them still appear to be relatively unknown nor well understood by most stakeholders of healthcare. …”
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    Challenges of implementing complexity in healthcare
  19. 1299
    “…Over the years, network analysis has become a promising strategy for analysing complex system, i.e., systems composed of a large number of interacting elements. …”
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    An Exploratory Application of Multilayer Networks and Pathway Analysis in Pharmacogenomics
  20. 1300
    por Jordan, David J, Miska, Eric A
    Publicado 2023
    “…Our perspective offers a new way of understanding the relationship between robustness and flexibility in complex systems, suggesting that projection and concentration of dimension can naturally align these forces as complementary rather than competing.…”
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    Canalisation and plasticity on the developmental manifold of Caenorhabditis elegans
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