Showing 1 - 3 results of 3 for search '"[TD]DFT"', query time: 0.02s Refine Results
  1. 1
    Determine the Relative Aromaticity of Bilayer Graphyne, Bilayer Graphdiyne, and Bilayer Graphtriyne

    Determine the Relative Aromaticity of Bilayer Graphyne, Bilayer Graphdiyne, and Bilayer Graphtriyne by Gang Zhang, Xinwen Gai, Lulu Sun, Ji Ma

    Published 2025-01-01
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  2. 2
    Spectroscopic, quantum chemical, and topological calculations of the phenylephrine molecule using density functional theory

    Spectroscopic, quantum chemical, and topological calculations of the phenylephrine molecule using density functional theory by Mukesh Khadka, Manoj Sah, Raju Chaudhary, Suresh Kumar Sahani, Kameshwar Sahani, Binay Kumar Pandey, Digvijay Pandey

    Published 2025-01-01
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  3. 3
    Understanding the synergistic interaction between a 1,3,4-thiadiazole derivative and amphotericin B using spectroscopic and theoretical studies

    Understanding the synergistic interaction between a 1,3,4-thiadiazole derivative and amphotericin B using spectroscopic and theoretical studies by Lidia Ślusarczyk, Klaudia Rząd, Grzegorz Niedzielski, Mikołaj Gurba, Jose Chavez, Luca Ceresa, Joe Kimball, Ignacy Gryczyński, Zygmunt Gryczyński, Mariusz Gagoś, James Hooper, Arkadiusz Matwijczuk

    Published 2024-12-01
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