Synthesis, X-Ray Structure, Hirshfeld Surface Analysis, DFT Calculations, and Molecular Docking Studies of Nickel(II) Complex with Thiosemicarbazone Derivative

por Osman, Uwaisulqarni M., Silvarajoo, Sharmili, Noor Hassim, Muhamad Fairus, Arshad, Suhana, Anizaim, Ainizatul Husna, Abdul Razak, Fazira Ilyana
Publicado 2021

Dataset of theoretical Molecular Electrostatic Potential (MEP), Highest Occupied Molecular Orbital-Lowest Unoccupied Molecular Orbital (HOMO-LUMO) band gap and experimental cole-co...

por Silvarajoo, Sharmili, Osman, Uwaisulqarni M., Kamarudin, Khadijah H., Razali, Mohd Hasmizam, Yusoff, Hanis Mohd, Bhat, Irshad Ul Haq, Rozaini, Mohd Zul Helmi, Juahir, Yusnita
Publicado 2020