Theoretical Investigation of the Electronic Structure of Fe(II) Complexes at Spin-State Transitions.
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Detailed Characterization of a Nanosecond-Lived Excited State: X-ray and Theoretical Investigation of the Quintet State in Photoexcited [Fe(terpy)2](2.)Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution.Charge transport properties of spin crossover systems.Understanding and tuning the properties of redox-accumulating manganese helicates.On Predicting Mössbauer Parameters of Iron-Containing Molecules with Density-Functional Theory.Computational characterization of competing energy and electron transfer states in bimetallic donor-acceptor systems for photocatalytic conversion.Explanation of the site-specific spin crossover in Fe(mtz)6(BF4)2.Ultrafast deactivation mechanism of the excited singlet in the light-induced spin crossover of [Fe(2,2'-bipyridine)3]2+.Molecular and Interfacial Calculations of Iron(II) Light Harvesters.Characterizing the Solvated Structure of Photoexcited [Os(terpy)₂](2+) with X-ray Transient Absorption Spectroscopy and DFT Calculations.Ammonia-modified Co(II) sites in zeolites: spin and electron density redistribution through the Co(II)-NO bond.Watching the dynamics of electrons and atoms at work in solar energy conversion.Tracking the picosecond deactivation dynamics of a photoexcited iron carbene complex by time-resolved X-ray scattering.Insight into the light-induced spin crossover of [Fe(bpy)3](2+) in aqueous solution from molecular dynamics simulation of d-d excited states.Insights into the crystal-packing effects on the spin crossover of [Fe(II)(1-bpp)](2+)-based materials.Sub-50-fs photoinduced spin crossover in [Fe(bpy)₃]²⁺.Assessment of TD-DFT and LF-DFT for study of d - d transitions in first row transition metal hexaaqua complexes.5-Aminotetrazole induces spin crossover in iron(III) pentadentate Schiff base complexes: experimental and theoretical investigations.Application of Density Functional and Density Functional Based Ligand Field Theory to Spin StatesA Heteroleptic Ferrous Complex with Mesoionic Bis(1,2,3-triazol-5-ylidene) Ligands: Taming the MLCT Excited State of Iron(II)
P2860
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P2860
Theoretical Investigation of the Electronic Structure of Fe(II) Complexes at Spin-State Transitions.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Theoretical Investigation of t ...... xes at Spin-State Transitions.
@en
type
label
Theoretical Investigation of t ...... xes at Spin-State Transitions.
@en
prefLabel
Theoretical Investigation of t ...... xes at Spin-State Transitions.
@en
P2860
P50
P356
P1476
Theoretical Investigation of t ...... xes at Spin-State Transitions.
@en
P2093
Tamás Rozgonyi
P2860
P304
P356
10.1021/CT300932N
P577
2012-11-26T00:00:00Z