STEIN, Christopher J.; REIHER, Markus. Automated Identification of Relevant Frontier Orbitals for Chemical Compounds and Processes. CHIMIA, [S. l.], v. 71, n. 4, p. 170, 2017. DOI: 10.2533/chimia.2017.170. Disponível em: https://www.chimia.ch/chimia/article/view/2017_170.. Acesso em: 4 dec. 2024.