A molecular-orbital theoretical classification of reactions of singlet ground-state molecules

✍ Scribed by Kizashi Yamaguchi; Takayuki Fueno; Hideo Fukutome

• Book ID: 103009352
• Publisher: Elsevier Science
• Year: 1973
• Tongue: English
• Weight: 529 KB
• Volume: 22
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(73)87008-3

✦ Synopsis

The reaction mechanisms of molecular systems in the ground singlet state are discriminated with the triplet stability-instability criterion of the restricted Hartree-Fock (RHF) solution for the entire system and with the phtie continuity criterion of the highhesS occupied orbiraf inwaIved. The criteria used SIC discussed in r&.tion to the witcomes ffotn tile confieuration~inleraction approach.