Interaction mechanisms and structural properties of MC19 (M = Si and Al) fullerenes with chlorophenylpiperazine isomers - Özgür Alver; Alver, Özgür; Metin Bilge; Şenyel, Mustafa; Necip Atar; Cemal Parlak; Mustafa Şenyel (My University, 2017)
Keywords: Fullerene; Dihedral angle; Density functional theory; Basis set; Computational chemistry; Chemistry; Phase (matter); Band gap; Electronic structure; Materials science; Chemical physics; Physical chemistry; Molecule; Hydrogen bond; Organic chemistry; 6