𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical Studies of the Electronic Structure and Spectroscopic Properties of [Ru(Htcterpy)(NCS)3]3–

✍ Scribed by Ming-Xia Li; Hong-Xing Zhang; Xin Zhou; Qing-Jiang Pan; Hong-Gang Fu; Chia-Chung Sun


Publisher
John Wiley and Sons
Year
2007
Tongue
English
Weight
219 KB
Volume
2007
Category
Article
ISSN
1434-1948

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Theoretical studies on the structure and
✍ John O. Morley 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 297 KB 👁 2 views

Molecular orbital calculations are reported on the structure and electronic properties of diphenyl sulfide using both semiempirical and ab initio methods. Neither the MNDO nor AM1 methods give satisfactory structures, but better results are obtained with the PM3 method. At the ab initio level, the 4

Spectroscopic and Theoretical Study of t
✍ Juan Casado; Ted M. Pappenfus; Kent R. Mann; Enrique Ortí; Pedro M. Viruela; Beg 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 279 KB 👁 1 views

## Abstract __The UV/Vis, infrared absorption, and Raman scattering spectra of 3′,4′‐dibutyl‐5,5″‐bis(dicyanomethylene)‐5,5″‐dihydro‐2,2′:5′,2″‐terthiophene have been analyzed with the aid of density functional theory calculations. The compound exhibits a quinoid structure in its ground electronic

Enamines. III. A theoretical and photoel
✍ Klaus Müller; Felix Previdoli 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 German ⚖ 386 KB 👁 1 views

## Abstract The photoelectron (PE.) spectra of __N__‐vinylaziridine (**1**) and some methyl and ethyl substituted derivatives are discussed in the light of quantum‐chemical model calculations using the PRDDO SCF method. All aziridine enamines are found to exist as equilibrium mixtures of variable c