CCCC > Archive > Keywords > Time dependent density functional
- ISSN 0010-0765 printed
- ISSN 1212-6950 electronic
Time dependent density functional
- Yinghong Sheng and Jerzy Leszczynski*
Theoretical Study of the Substituent and Solvent Effects on the Molecular Structures, Absorption and Emission Spectra of Open-Form Spiropyrans
2004, Vol. 69, Issue 1, pp. 47–62
[Abstract]
- Stanislav Záliš*, Antonín Vlček, Jr. and Chantal Daniel
The Character of Low-Lying Excited States of Mixed-Ligand Metal Carbonyls. TD-DFT and CASSCF/CASPT2 Study of [W(CO)4L] (L = ethylenediamine, N,N'-dialkyl-1,4-diazabutadiene) and [W(CO)5L] (L = pyridine, 4-cyanopyridine)
2003, Vol. 68, Issue 1, pp. 89–104
[Abstract]
