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Molecular orbital theory

✍ Scribed by Richards, Graham

Book ID: 109702539
Publisher: Nature Publishing Group
Year: 1976
Tongue: English
Weight: 118 KB
Volume: 263
Category: Article
ISSN: 0028-0836
DOI: 10.1038/263447b0

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📜 SIMILAR VOLUMES

Generalized molecular orbital theory

✍ Michael B. Hall 📂 Article 📅 1979 🏛 Elsevier Science 🌐 English ⚖ 428 KB

Iunited multi-confiiuratxon sdf-conszstent field (SiC SW) theory is presented, m \\*h& aJ.l the hx&iy occupred orbnats are associated uith ore Fork-like operator. rrhde the we&& occupied ones zre nssofiated \%ith .I second fock-i&e operrttor. Results for H-, and J&8 are presented ss successful tests

Simple qualitative molecular orbital the

Simple qualitative molecular orbital theory

✍ Stone, Anthony 📂 Article 📅 1980 🏛 Nature Publishing Group 🌐 English ⚖ 135 KB

Graph theory and molecular orbitals

✍ A. Graovac; I. Gutman; N. Trinajstić; T. Živković 📂 Article 📅 1972 🏛 Springer 🌐 English ⚖ 472 KB

Graph theory and molecular orbitals

✍ Dragoš Cvetković; Ivan Gutman; Nenad Trinajstić 📂 Article 📅 1974 🏛 Springer 🌐 English ⚖ 298 KB

Valence and molecular orbital theories

✍ Richards, Graham 📂 Article 📅 1978 🏛 Nature Publishing Group 🌐 English ⚖ 127 KB

Two-dimensional Hückel molecular orbital

Two-dimensional Hückel molecular orbital theory

✍ S.J. Cyvin 📂 Article 📅 1981 🏛 Elsevier Science 🌐 French ⚖ 197 KB

The simple Hiickel molecular orbital theory is extended to include hydrocarbons with sp- hybridization in addition to the sp2-hybridization. Molecular orbitals are constructed as linear combinations of 2p orbitals in two dimensions perpendicular to each other. Total IT bond orders (P) are defined an