Showing 21 - 23 results of 23 for search '"dft calculations"', query time: 0.03s Refine Results
  1. 21
    Theoretical Studies on the Reaction Mechanism for the Cycloaddition of Zwitterionic π-Allenyl Palladium Species: Substrate-Controlled Isomerization

    Theoretical Studies on the Reaction Mechanism for the Cycloaddition of Zwitterionic π-Allenyl Palladium Species: Substrate-Controlled Isomerization by Yongjie Long, Jiahao Shen, Min Shi, Yin Wei

    Published 2024-12-01
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  2. 22
    Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobalt(II)

    Synthesis, crystal structure, Hirshfeld surface analysis and DFT calculations of the coordination compound tetraaquabis{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetato-κO}cobal... by Ekaterina Kinshakova, Batirbay Torambetov, Simranjeet Kaur, Jamshid Ashurov, Shakhnoza Kadirova

    Published 2025-01-01
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  3. 23
    Luminescence properties of ZnSe single crystals co-doped with Fe and Cr

    Luminescence properties of ZnSe single crystals co-doped with Fe and Cr by K. Lamonova, A. Prokhorov, M. Schmidbauer, A. Kwasniewski, Yu Kazarinov, M. Konuhova, A. Platonenko, Z. Remeš, K. Ridzoňová, M. Buryi

    Published 2025-02-01
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