Showing 201 - 220 results of 2,836 for search '(((pinge OR pinene) OR (sspine OR site)) OR ((pinna OR spins) OR (pin OR skin)))', query time: 0.21s Refine Results
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    Revealing Structural and Spin-state Dependent Reactivity of Single Atom Catalysts (SACs) with Systematically Improvable Computational Tools by Jia, Haojun (贾皓钧)

    Published 2024
    “…Moreover, modulating the coordination environment near single metal sites by means of codopants, we carry out a large-scale virtual high-throughput screening (VHTS) of transition metal (i.e., Mn, Fe, Co, and Ru) SACs codoped with various elements (i.e., N, O, P, and S) in numerous spin and oxidation (i.e., M(II)/M(III)) states for the challenging conversion of methane to methanol. …”
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    Thesis
  3. 203

    Assessing the performance of approximate density functional theory on 95 experimentally characterized Fe(II) spin crossover complexes by Vennelakanti, Vyshnavi, Taylor, Michael G, Nandy, Aditya, Duan, Chenru, Kulik, Heather J

    Published 2024
    “…Spin crossover (SCO) complexes, which exhibit changes in spin state in response to external stimuli, have applications in molecular electronics and are challenging materials for computational design. …”
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    Article
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    Enhancement of spin-orbit torque in Pt/Co/HfOx heterostructures with voltage-controlled oxygen ion migration by Wu, Shuo, Jin, Tianli, Tan, Funan, Ang, Calvin Ching Ian, Poh, Hanyin, Lim, Gerard Joseph, Lew, Wen Siang

    Published 2023
    “…Spin-orbit torque (SOT) induced magnetization switching and SOT modulation by interfacial coupling exhibit good potential in spintronic devices. …”
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    Journal Article
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    Dynamics of a two-level system under the simultaneous influence of a spin bath and a boson bath by Wu, Ning, Zhao, Yang

    Published 2013
    “…We study dynamics of a two-level system coupled simultaneously to a pair of dissimilar reservoirs, namely, a spin bath and a boson bath, which are connected via finite interbath coupling. …”
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    Journal Article
  8. 208

    Demonstrating experimentally the encoding and dynamics of an error-correctable logical qubit on a hyperfine-coupled nuclear spin qudit by Lim, S, Vaganov, M, Liu, J, Ardavan, A

    Published 2025
    “…Using electron-nuclear double resonance, we implement a logical qubit encoded on the four states of a I = 3/2 nuclear spin hyperfine-coupled to a S = 1/2 electron spin qubit; the encoding protects against the dominant decoherence mechanism in such systems, fluctuations of the quantizing magnetic field. …”
    Journal article
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    Identification of potential critical virulent sites based on hemagglutinin of influenza A virus in past pandemic strains by Yin, Rui, Fransiskus, Xaverius Ivan, Zheng, Jie, Zhou, Xinrui, Chow, Vincent T. K., Kwoh, Chee Keong

    Published 2019
    “…Fourteen out of the sixteen potential critical virulent sites detected in our experiments are overlapped with receptor binding sites or antigenic sites. …”
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    Conference Paper
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    Atomically dispersed Fe−N₄ and Ni-N₄ independent sites enable bidirectional sulfur redox electrocatalysis by Yang, Jin-Lin, Yang, Peihua, Cai, Da-Qian, Wang, Zhe, Fan, Hong Jin

    Published 2023
    “…Herein, atomically dispersed Ni-N4 and Fe-N4 dual sites coanchored on porous hollow carbon nanocages (Ni-Fe-NC) are fabricated and deployed as the sulfur host for Li-S battery. …”
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    Journal Article
  14. 214

    Multi-site benchmark classification of major depressive disorder using machine learning on cortical and subcortical measures by Belov, Vladimir, Erwin-Grabner, Tracy, Aghajani, Moji, Aleman, Andre, Amod, Alyssa R., Basgoze, Zeynep, Benedetti, Francesco, Besteher, Bianca, Bülow, Robin, Ching, Christopher R. K., Connolly, Colm G., Cullen, Kathryn, Davey, Christopher G., Dima, Danai, Dols, Annemiek, Evans, Jennifer W., Fu, Cynthia H. Y., Gonul, Ali Saffet, Gotlib, Ian H., Grabe, Hans J., Groenewold, Nynke, Hamilton, J. Paul, Harrison, Ben J., Ho, Tiffany C., Mwangi, Benson, Jaworska, Natalia, Jahanshad, Neda, Klimes-Dougan, Bonnie, Koopowitz, Sheri-Michelle, Lancaster, Thomas, Li, Meng, Linden, David E. J., MacMaster, Frank P., Mehler, David M. A., Melloni, Elisa, Mueller, Bryon A., Ojha, Amar, Oudega, Mardien L., Penninx, Brenda W. J. H., Poletti, Sara, Pomarol-Clotet, Edith, Portella, Maria J., Pozzi, Elena, Reneman, Liesbeth, Sacchet, Matthew D., Sämann, Philipp G., Schrantee, Anouk, Sim, Kang, Soares, Jair C., Stein, Dan J., Thomopoulos, Sophia I., Uyar-Demir, Aslihan, van der Wee, Nic J. A., van der Werff, Steven J. A., Völzke, Henry, Whittle, Sarah, Wittfeld, Katharina, Wright, Margaret J., Wu, Mon-Ju, Yang, Tony T., Zarate, Carlos, Veltman, Dick J., Schmaal, Lianne, Thompson, Paul M., Goya-Maldonado, Roberto

    Published 2024
    “…Here, we overcome these limitations with the largest multi-site sample size to date (N = 5365) to provide a generalizable ML classification benchmark of major depressive disorder (MDD) using shallow linear and non-linear models. …”
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    Journal Article
  15. 215

    Tuning the selectivity of NH 3 oxidation via cooperative electronic interactions between platinum and copper sites by Chen, L, Guan, X, Fei, Z, Asakura, H, Zhang, L, Wang, Z, Su, X, Yao, Z, Keenan, LL, Hayama, S, van Spronsen, MA, Karagoz, B, Held, G, Allen, CS, Hopkinson, DG, Decarolis, D, Callison, J, Dyson, PJ, Wang, FR

    Published 2025
    “…Moreover, a synergistic effect between Pt and Cu sites in PtSCuO/Al2O3 contributes to the high selectivity by facilitating internal selective catalytic reduction.…”
    Journal article
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