DFT/TDDFT Study on the Electronic Structure and Spectral Properties of Diphenyl Azafluoranthene Derivative
✍ Scribed by P. Ga̧siorski; K. S. Danel; M. Matusiewicz; T. Uchacz; W. Kuźnik; A. V. Kityk
- Publisher
- Springer
- Year
- 2011
- Tongue
- English
- Weight
- 586 KB
- Volume
- 22
- Category
- Article
- ISSN
- 1053-0509
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract Photolysis of W(CO)~6~ in the presence of 2‐(2′‐pyridyl)quinoxaline (pq) results in the formation of W(CO)~4~(pq) via an intermediate product W(CO)~5~(N^4^‐pq) (**1**). In **1** the pq ligand that has three nitrogen atoms – two pyridine and one quinoxaline type – is coordinated in a mon
All-electron calculations were performed for Ni , Ni , and Ni clusters 2 3 4 and their respective anions and cations using density functional theory techniques as implemented in the DGauss code. Both local and generalized gradient-corrected functionals were employed. Three different multiplicities w