✦ LIBER ✦

What Electronic Structures and Geometries of Carborane Mono- and ortho -, meta -, and para -Diradicals are Preferred?

✍ Scribed by Serrano-Andrés, Luis; Klein, Douglas J.; Schleyer, Paul von Ragué; Oliva, Josep M.

Book ID: 127394472
Publisher: American Chemical Society
Year: 2008
Tongue: English
Weight: 709 KB
Volume: 4
Category: Article
ISSN: 1549-9618
DOI: 10.1021/ct800150h

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

CNDO CI study of electronic structure an

CNDO CI study of electronic structure and geometry in ground and excited states. ortho- and meta- difluorobenzenes

✍ J.S. Yadav; P.C. Mishra; D.K. Rai 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 235 KB

The modified CNDO/Z method (CNDO/s) has been applied to study the electronic structure utd geometry of ortho-and meta-difluorobcnzcnes in their ground and first excited sinplct states. Calculated density matrices have been transformed into o-and n-bond orders by the technique suggested earlier. Bond

Definitive crystal structures of ortho-,

Definitive crystal structures of ortho-, meta- and para-carboranes: supramolecular structures directed solely by C?H?O hydrogen bonding to hmpa (hmpa = hexamethylphosphoramide)

✍ Davidson, Matthew G.; Hibbert, Thomas G.; Howard, Judith A. K.; Mackinnon, Angus 📂 Article 📅 1996 🏛 Royal Society of Chemistry 🌐 English ⚖ 339 KB

Cyclic voltammetric and spectral studies

Cyclic voltammetric and spectral studies of the electronic structure and relative reactivities of ortho-, meta- and para- nitrobenzaldehyde radical anions

✍ Elena Constantinescu; Mihaela Hillebrand; Elena Volanschi; Hartmut Wendt 📂 Article 📅 1988 🏛 Elsevier Science ⚖ 863 KB

Quantum chemical study of the electronic

Quantum chemical study of the electronic structure and geometry of surface alkoxy groups as probable active intermediates of heterogeneous acidic catalysts: What are the adsorbed carbenium ions?

✍ V.B. Kazansky; I.N. Senchenya 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 954 KB