Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil
(PERGAMON-ELSEVIER SCIENCE LTD, 2006)
The molecular geometry and vibrational frequencies of 2-amino-5-phenyl-1,3,4-thiadiazole (C8H7N3S) in the ground state has been calculated using the Hartree-Fock and density functional method (B3LYP) with 6-31G(d) basis ...