Longest-Wavelength Electronic Excitations of Linear Cyanines: The Role of Electron Delocalization and of Approximations in Time-Dependent Density Functional Theory.

Longest-Wavelength Electronic Excitations of Linear Cyanines: The Role of Electron Delocalization and of Approximations in Time-Dependent Density Functional Theory.

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http://www.wikidata.org/entity/Q40304590
0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life CompoundsElectronic π-to-π* Excitations of Rhodamine Dyes Exhibit a Time-Dependent Kohn-Sham Theory "Cyanine Problem"Taking up the cyanine challenge with quantum tools.Aza-BOIMPYs: A Tetrazole Auxochrome for Highly Red-Emissive Dipyrromethene-Based Fluorophores.Electronic spectra and intersystem spin-orbit coupling in 1,2- and 1,3-squaraines.Using non-empirically tuned range-separated functionals with simulated emission bands to model fluorescence lifetimes.Bethe-Salpeter study of cationic dyes: Comparisons with ADC(2) and TD-DFT.Implementation of nuclear gradients of range-separated hybrid density functionals and benchmarking on rotational constants for organic molecules.The Effects of Heteroatoms Si and S on Tuning the Optical Properties of Rhodamine- and Fluorescein-Based Fluorescence Probes: A Theoretical Analysis.Investigating the optical properties of BOIMPY dyes using ab initio tools.Magnetic circular dichroism of UCl6- in the ligand-to-metal charge-transfer spectral region.Conceptual DFT Study of the Local Chemical Reactivity of the Colored BISARG Melanoidin and Its Protonated Derivative.Investigating the properties of PODIPYs (phosphorus-dipyrromethene) with ab initio toolsExcited-states of BODIPY–cyanines: ultimate TD-DFT challenges?
P2860

Longest-Wavelength Electronic Excitations of Linear Cyanines: The Role of Electron Delocalization and of Approximations in Time-Dependent Density Functional Theory.

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http://www.wikidata.org/entity/Q40304590
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2013 nî lūn-bûn
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2013年の論文
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2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Longest-Wavelength Electronic ...... ent Density Functional Theory.
@en
type
label
Longest-Wavelength Electronic ...... ent Density Functional Theory.
@en
prefLabel
Longest-Wavelength Electronic ...... ent Density Functional Theory.
@en
P1433
P1476
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Longest-Wavelength Electronic ...... ent Density Functional Theory.
@en
P304
P31
P356
P433
P478
P50
P577
P698