✦ LIBER ✦

Further studies on configuration interaction in the molecular orbital theory of π-systems

✍ Scribed by Thomas W. Stuart; Norman L. Allinger

Publisher: Springer
Year: 1968
Tongue: English
Weight: 460 KB
Volume: 10
Category: Article
ISSN: 1432-2234
DOI: 10.1007/bf00529345

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Wave-function operator calculations of t

Wave-function operator calculations of the complete configuration interaction in π-systems

✍ A. V. Luzanov; Yu. F. Pedash; V. V. Ivanov 📂 Article 📅 1990 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 563 KB

Problems in the theoretical structure of

Problems in the theoretical structure of organometallic molecules: generalized molecular orbital, configuration interaction calculations on ferrocene

✍ Trenton E. Taylor; Michael B. Hall 📂 Article 📅 1985 🏛 Elsevier Science 🌐 English ⚖ 417 KB

The lowest electronic states of the benz

The lowest electronic states of the benzoyl ion. A molecular orbital study with configuration interaction

✍ Maurice M. Bursey; Jar-Lin Kao; L. Pedersen 📂 Article 📅 1975 🏛 John Wiley and Sons 🌐 English ⚖ 284 KB

On the use of partitioning theory in con

On the use of partitioning theory in configuration interaction

✍ G. Raşeev 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 654 KB

We introduce a procedure for the CI description of energy surfaces based on an extension of the concept of a partiaUy tilled Cl matrix (called nearly empty matrix (NEM)) and the unique selected configuration list (USCL). An NEM-USCL compared to a full matrh calculatzon (ratio of calculated CI matrix

Theoretical studies on cation-π interact

Theoretical studies on cation-π interactions (I)—Densityfunctional theory investigation on the configurations and interaction for ammonium cation-benzene complex

✍ Hualiang Jiang; Weiliang Zhu; Xiaojian Tan; Jiande Gu; Jianzhong Chen; Maowei Li 📂 Article 📅 1998 🏛 SP Science China Press 🌐 English ⚖ 557 KB

Study of the I = 2 Σπ system in π + N in

Study of the I = 2 Σπ system in π + N interactions

✍ G.R. Kalbfleisch; G. Alexander; O.I. Dahl; D.H. Miller; A. Rittenberg; G.A. Smit 📂 Article 📅 1963 🏛 Elsevier Science ⚖ 353 KB