“…The perovskite structure has been justified theoretically by Goldschmidt tolerance factor and the octahedral factor. …”
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“…The IR, Raman, and UV–vis spectra of Ta(4)B(18) (2) are theoretically simulated to facilitate its future experimental characterizations.…”
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“…The mechanisms of 2-(Benzo[d]thiazol-2-yl)phenol-based bifunctional probe (HBT-FS) for detecting fluoride (F(−)) and sulfite (SO(3)(2–)) based on excited-state intramolecular proton transfer (ESIPT) and intramolecular charge transfer (ICT) have been theoretically studied. Laplacian bond order of HBT-FS indicates that the F(−) ion cleaves the Si-O bond and then forms Compound 2 possessing a six-membered ring with a hydrogen bond. …”
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“…The user perspective plays an increasingly important role in the evaluation of health services, but there is a lack of valid and theoretically based measuring instruments, especially in midwifery care. …”
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“…The structure–activity relationship of the St-based flocculants in sludge dewatering was obtained according to the theoretic simulation. The dewatering mechanisms was discussed in depth on the basis of the experimental and simulated results; besides, the FCMC and optimal dose can be predicted by the established structure–activity relationship. …”
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“…The cytotoxic activity of MUC-30 against EGFR theoretically presented 399.31 nM (IC(50) = 282.26 ng/mL) by molecular docking. …”
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“…We first discuss key theoretically-driven concepts pertaining to emotion dysregulation and passive monitoring. …”
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“…In this study, we explore a way of applying a pillar-type plasmonic nanodiscs array, which is advantageous not only for excellent tunability of resonance wavelength but also for 2-dimensional integration through a single layer process, to the multispectral filter array for the on-chip spectrometer. We theoretically and experimentally investigated the optical properties of multi-periodic triangular lattices of metal nanodiscs array that act as stopband filters in the mid-infrared region. …”
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“…Here, we derive two efficient algorithms for archiving postsynaptic membrane potentials, both compatible with modern simulation engines based on event-based synapse updates. We theoretically contrast the two algorithms with a time-driven synapse update scheme to analyze advantages in terms of memory and computations. …”
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“…The evolution of the symmetry and the crystalline electric field environment of Pr-ions are also studied and compared theoretically between the elemental Pr and when it is coupled with other elements such as Co. …”
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“…CONCLUSIONS: The use of three or more broad-spectrum antimicrobials or a lengthy hospital stay is theoretically associated with the risk of infection with C. pelliculosa. …”
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“…Contrarily, the findings indicated that social influence, habit, effort expectancy, and flow might be suitable for tailored marketing strategies targeting esports consumer groups. Theoretically, the suggested esports experience will contribute to the growing body of knowledge aimed at understanding esports consumers' behavior through the consistent clustering of behavioral prior experience. …”
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“…In this study, we applied an information theoretic approach to determine the most important spatial and environmental predictors of hair GCs (hGCs) in the population, after controlling for normal patterns of hGC variation in the species. …”
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“…Links between adult attachment and personal agency are theoretically relevant to the experience of borderline personality disorder (BPD) but this has yet to be empirically examined. …”
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“…Policymakers are interested in programs that increase targeted pro-environmental behavior (PEB) and spill over to increase non-targeted PEBs. Theoretically, guilt should lead to negative spillover and identity to positive spillover, though this has rarely been tested empirically. …”
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“…With the model, the influence of vehicle number on the dynamic characteristics of a train–CRTS III slab track–subgrade coupled system with smooth and random track irregularity conditions for conventional and vibration-reduction CRTS III slab tracks are theoretically studied and analyzed. Some conclusions are drawn from the results: (1) the largest dynamic responses of the coupled system for all items and cases are no longer changed when the vehicle number exceeds three, and three vehicles are adequate to guarantee the simulation precision to investigate the dynamic responses of the coupled system. (2) The acceleration of the car body has almost no relation with the vehicle number, and only one vehicle is needed to study the vehicle dynamics using the train–CRTS III slab track–subgrade coupled dynamic model. (3) For the conventional CRTS III slab track on a subgrade, the vehicle number has a negligible influence on the accelerations of the rail, slab, and concrete base, the positive and negative bending moments of the rail, the compressive force of the fastener, and the positive bending stress of slab, but it has a large influence on the tension force of the fastener, and the negative bending stresses of the slab and concrete base. …”
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“…This paper proposes and implements a lightweight, “real-time” localization system (SORLA) with artificial landmarks (reflectors), which only uses LiDAR data for the laser odometer compensation in the case of high-speed or sharp-turning. Theoretically, due to the feature-matching mechanism of the LiDAR, locations of multiple reflectors and the reflector layout are not limited by geometrical relation. …”
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“…OBJECTIVE: In light of calls for more transparency, this paper aims to describe the development of an evidence-based, theoretically informed digital decision support intervention for parents and caregivers of young people accessing CAMHS. …”
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“…Outcome measures of social participation resulted in large effect sizes (Cohen’s d > 1.6). CONCLUSIONS: A theoretically-driven, personalised and co-designed educational m-health intervention is feasible and beneficial for use in the self-management of hearing loss and hearing aids.…”
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“…Out of all studied compounds, the binding energies and binding mode of bis-indole derivatives 7c and 7d were theoretically the best thymidylate kinase, DNA gyrase B and DNA topoisomerase IV subunit B inhibitors.…”
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