Experimental benchmark data and systematic evaluation of two a posteriori, polarizable-continuum corrections for vertical excitation energies in solution.

Experimental benchmark data and systematic evaluation of two a posteriori, polarizable-continuum corrections for vertical excitation energies in solution.

Item
http://www.wikidata.org/entity/Q30886474
0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life CompoundsCharge-transfer states in triazole linked donor-acceptor materials: strong effects of chemical modification and solvation.On the accuracy of the general, state-specific polarizable-continuum model for the description of correlated ground- and excited states in solution.Coupled-cluster based approach for core-level states in condensed phase: Theory and application to different protonated forms of aqueous glycine.Two-photon absorption spectroscopy of trans-stilbene, cis-stilbene, and phenanthrene: Theory and experiment.Enhancing charge mobilities in organic semiconductors by selective fluorination: a design approach based on a quantum mechanical perspective.Solvent effects on excitation energies obtained using the state-specific TD-DFT method with a polarizable continuum model based on constrained equilibrium thermodynamics.Bethe-Salpeter study of cationic dyes: Comparisons with ADC(2) and TD-DFT.Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models.How Boron Doping Shapes the Optoelectronic Properties of Canonical and Phenylene-Containing Oligoacenes: A Combined Experimental and Theoretical Investigation.Regular and red-shifted fluorescence of the donor-acceptor compound 5-(1H-pyrrole-1-yl)thiophenecarbonitrile (TCN) is efficiently quenched by internal modes of thiophene.First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order.The Bethe-Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features.Assessment of the convergence of partially self-consistent BSE/GW calculations
P2860

Experimental benchmark data and systematic evaluation of two a posteriori, polarizable-continuum corrections for vertical excitation energies in solution.

Item
http://www.wikidata.org/entity/Q30886474
description
2015 nî lūn-bûn
@nan
2015 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2015 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
name
Experimental benchmark data an ...... citation energies in solution.
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Experimental benchmark data an ...... citation energies in solution.
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type
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Experimental benchmark data an ...... citation energies in solution.
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Experimental benchmark data an ...... citation energies in solution.
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prefLabel
Experimental benchmark data an ...... citation energies in solution.
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Experimental benchmark data an ...... citation energies in solution.
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P1433
P1476
P2093
P304
P31
P356
P407
P433
P478
P50
P577
P698
P356
P1433
P1476
Experimental benchmark data an ...... citation energies in solution.
@en
P2093
P304
P31
P356
P407
P433
P478
P50
P577
P698