Through-Space Charge Transfer in Rod-Like Molecules: Lessons from Theory
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Theoretical modelling of photoswitching of hyperpolarisabilities in ruthenium complexesPhotoactive layer based on T-shaped benzimidazole dyes used for solar cell: from photoelectric properties to molecular design.Theoretical study on the charge transfer mechanism at donor/acceptor interface: Why TTF/TCNQ is inadaptable to photovoltaics?Hydration effects on the electronic properties of eumelanin building blocks.Excited-State Proton Transfer and Intramolecular Charge Transfer in 1,3-Diketone Molecules.Synthesis, photovoltaic performances and TD-DFT modeling of push-pull diacetylide platinum complexes in TiO2 based dye-sensitized solar cells.A quantitative analysis of light-driven charge transfer processes using voronoi partitioning of time dependent DFT-derived electron densities.Unveiling the nature of post-linear response Z-vector method for time-dependent density functional theory.Incorporation of a platinum center in the pi-conjugated core of push-pull chromophores for nonlinear optics (NLO).How are the charge transfer descriptors affected by the quality of the underpinning electronic density?Computational study on donor-acceptor optical markers for Alzheimer's disease: a game of charge transfer and electron delocalization.Accesses to electronic structures and the excited states of blue luminescent copper(I) complexes containing N-heterocyclic carbene ligands: a DFT/TDDFT exploitation.A promising candidate with D-A-A-A architecture as an efficient sensitizer for dye-sensitized solar cells.Iodinated Al(III)-based phthalocyanines are promising sensitizers for dye-sensitized solar cells; a theoretical comparison between Zn(II), Mg(II), and Al(III)-based phthalocyanine sensitizers.Theoretical investigation and design of high-efficiency dithiafulvenyl-based sensitizers for dye-sensitized solar cells: the impacts of elongating π-spacers and rigidifying dithiophene.Through-space charge transfer and emission color tuning of di-o-carborane substituted benzene.A designed bithiopheneimide-based conjugated polymer for organic photovoltaic with ultrafast charge transfer at donor/PC(71)BM interface: theoretical study and characterization.Transition matrices and orbitals from reduced density matrix theory.Theoretical investigations on fluorinated and cyano copolymers for improvements of photovoltaic performances.Evaluating push-pull dye efficiency using TD-DFT and charge transfer indices.Theoretical spectroscopy of BASHY dyesAnalyzing excited-state processes and optical signatures of a ratiomeric fluorine anion sensor: a quantum lookWhite Emitters by Tuning the Excited-State Intramolecular Proton-Transfer Fluorescence Emission in 2-(2′-Hydroxybenzofuran)benzoxazole Dyes
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P2860
Through-Space Charge Transfer in Rod-Like Molecules: Lessons from Theory
description
im Mai 2012 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в травні 2012
@uk
name
Through-Space Charge Transfer in Rod-Like Molecules: Lessons from Theory
@en
Through-Space Charge Transfer in Rod-Like Molecules: Lessons from Theory
@nl
type
label
Through-Space Charge Transfer in Rod-Like Molecules: Lessons from Theory
@en
Through-Space Charge Transfer in Rod-Like Molecules: Lessons from Theory
@nl
prefLabel
Through-Space Charge Transfer in Rod-Like Molecules: Lessons from Theory
@en
Through-Space Charge Transfer in Rod-Like Molecules: Lessons from Theory
@nl
P50
P356
P1476
Through-Space Charge Transfer in Rod-Like Molecules: Lessons from Theory
@en
P2093
Tangui Le Bahers
P304
11946-11955
P356
10.1021/JP3030667
P577
2012-05-23T00:00:00Z