Description of excited states in [Re(Imidazole)(CO)3 (Phen)](+) including solvent and spin-orbit coupling effects: Density functional theory versus multiconfigurational wavefunction approach.
about
Comprehensive investigation of the electronic excitation of W(CO)6 by photoabsorption and theoretical analysis in the energy region from 3.9 to 10.8 eV.Excited-states of a rhenium carbonyl diimine complex: solvation models, spin-orbit coupling, and vibrational sampling effects.Ligand substitution and conformational effects on the ultrafast luminescent decay of [Re(CO)3(phen)(L)]+ (L = imidazole, pyridine): non-adiabatic quantum dynamics.Novel Molecular-Dynamics-Based Protocols for Phase Space Sampling in Complex Systems
P2860
Description of excited states in [Re(Imidazole)(CO)3 (Phen)](+) including solvent and spin-orbit coupling effects: Density functional theory versus multiconfigurational wavefunction approach.
description
2016 nî lūn-bûn
@nan
2016年の論文
@ja
2016年論文
@yue
2016年論文
@zh-hant
2016年論文
@zh-hk
2016年論文
@zh-mo
2016年論文
@zh-tw
2016年论文
@wuu
2016年论文
@zh
2016年论文
@zh-cn
name
Description of excited states ...... ational wavefunction approach.
@ast
Description of excited states ...... ational wavefunction approach.
@en
type
label
Description of excited states ...... ational wavefunction approach.
@ast
Description of excited states ...... ational wavefunction approach.
@en
prefLabel
Description of excited states ...... ational wavefunction approach.
@ast
Description of excited states ...... ational wavefunction approach.
@en
P2860
P356
P1476
Description of excited states ...... rational wavefunction approach
@en
P2093
Chantal Daniel
P2860
P304
P356
10.1002/JCC.24469
P577
2016-08-11T00:00:00Z