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

by Uwaisulqarni M. Osman, Sharmili Silvarajoo, Muhamad Fairus Noor Hassim, Suhana Arshad, Ainizatul Husna Anizaim, Fazira Ilyana Abdul Razak
Published 2021-01-01

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

by Sharmili Silvarajoo, Uwaisulqarni M. Osman, Khadijah H. Kamarudin, Mohd Hasmizam Razali, Hanis Mohd Yusoff, Irshad Ul Haq Bhat, Mohd Zul Helmi Rozaini, Yusnita Juahir
Published 2020-10-01