Laser performance and investigation of the optimal density functional and the dependence of the basis sets for (E, E)-2,5-bis (3,4-dimethoxystyryl) pyrazine (BDP) molecule.

Sakr, Mahmoud A S; Gawad, Sayed A Abdel; El-Daly, Samy A; Kana, Maram T H Abou; Ebeid, El-Zeiny M

Sakr, Mahmoud A S; Gawad, Sayed A Abdel; El-Daly, Samy A; Kana, Maram T H Abou; Ebeid, El-Zeiny M.

Afiliação

Sakr MAS; Chemistry Department, Faculty of Science, Tanta University, Tanta, Egypt.
Gawad SAA; Misr University for Science and Technology (MUST), 6Th of October City, Egypt.
El-Daly SA; Misr University for Science and Technology (MUST), 6Th of October City, Egypt.
Kana MTHA; Chemistry Department, Faculty of Science, Tanta University, Tanta, Egypt.
Ebeid EM; Laser Systems Department, National Institute of Laser- Enhanced Science (NILES), Cairo University, Cairo, Egypt.

J Mol Model ; 27(9): 256, 2021 Aug 20.

Article em En | MEDLINE | ID: mdl-34414525