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Spectral lineshapes in nonlinear electronic spectroscopy

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Experimental evidence of incomplete fluorescence quenching of pyrene bound to humic substances: implications for Koc measurements

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Competition between the nonadiabatic electronic state-mixing and the Herzberg-Teller vibronic effects in fluorescence process of tetraoxa[8]circulene

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Electroluminescence of Halogen Complexes with Monovalent Copper: OLED Devices and DFT Modeling

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The blue vibronically resolved electroluminescence of azatrioxa[8]circulene

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Parametric broadening of the molecular vibronic band due to zero-point oscillations and thermal fluctuations of interatomic bonds

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Theoretical insights into UV–Vis absorption spectra of difluoroboron β-diketonates with an extended π system: An analysis based on DFT and TD-DFT calculations

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Intermolecular Hydrogen Bonding Tunes Vibronic Coupling in Heptazine Complexes

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ESR, STESR, DFT, and MD Study of the Dynamical Structure of Cucurbituril[7]–Spin Probe Guest–Host Complexes

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Parameterization of a linear vibronic coupling model with multiconfigurational electronic structure methods to study the quantum dynamics of photoexcited pyrene

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Mechanism of the Non‐Kasha Fluorescence in Pyrene

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Naphtyl- and pyrenyl-flavylium dyads: Synthesis, DFT and optical properties

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The AstroPAH 10 Years of Science Review

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Electronic excited states of benzene in interaction with water clusters: influence of structure and size

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Two-step Dynamics of Photoinduced Phonon Entanglement Generation between Remote Electron–Phonon Systems

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Ab Initio Study of Electronic States of Astrophysically Important Molecules

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1,6-Diazapyrene: A Novel, Well-Defined, Small-Size Prototype System for Nitrogen-Containing PAHs

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Ultrafast relaxation from 1La to 1Lb in pyrene: a theoretical study

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Accurate First-Principles Calculation of the Vibronic Spectrum of Stacked Perylene Tetracarboxylic Acid Diimides

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Wavefunction Collapse Broadens Molecular Spectrum

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Vibronic absorption spectra of the angular fused bisindolo- and biscarbazoloanthracene blue fluorophores for OLED applications

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Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics

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Theoretical calculation of the pyrene emission properties in different solvents

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iSPECTRON: A simulation interface for linear and nonlinear spectra with ab‐initio quantum chemistry software

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Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states

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Analysis of lowest energy transitions at TD-DFT of pyrene in vacuum and solvent

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DFT simulation of the heteroannelated octatetraenes vibronic spectra with the Franck–Condon and Herzberg–Teller approaches including Duschinsky effect

Nataliya N. Karaush, Rashid R. Valiev, Gleb V. Baryshnikov, Boris F. Minaev and Hans Ågren

Chemical Physics, 2015, 459, 65
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Experimental and theoretical study of photo- and electroluminescence of divinyldiphenyl and divinylphenanthrene derivatives

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