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
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
## 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
## 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