Deep Learning Spectroscopy: Neural Networks for Molecular Excitation Spectra
Sign Up to like & getrecommendations! Published in 2019 at "Advanced Science"
DOI: 10.1002/advs.201801367
Abstract: Abstract Deep learning methods for the prediction of molecular excitation spectra are presented. For the example of the electronic density of states of 132k organic molecules, three different neural network architectures: multilayer perceptron (MLP), convolutional… read more here.
Keywords: neural networks; deep learning; excitation spectra; spectroscopy ... See more keywords
Assessment of Tuned Range Separated Exchange Functionals for Spectroscopies and Properties of Uranium Complexes.
Sign Up to like & getrecommendations! Published in 2017 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.7b00526
Abstract: The Kohn-Sham delocalization error (DE) is quantified in select uranium compounds for various functionals and shown to correlate with the magnitude of dative ligand donation into the 5f shell. Range separated exchange functionals are reparametrized… read more here.
Keywords: separated exchange; exchange functionals; range separated; excitation spectra ... See more keywords
Rotons in optical excitation spectra of monolayer semiconductors
Sign Up to like & getrecommendations! Published in 2020 at "Physical Review B"
DOI: 10.1103/physrevb.101.205409
Abstract: Optically generated excitons dictate the absorption and emission spectrum of doped semiconductor transition-metal dichalcogenide monolayers. We show that upon increasing the electron density, the elementary optical excitations develop a rotonlike dispersion, evidenced by a shift… read more here.
Keywords: spectra monolayer; monolayer semiconductors; excitation spectra; optical excitation ... See more keywords
Semiconductor color-center structure and excitation spectra: Equation-of-motion coupled-cluster description of vacancy and transition-metal defect photoluminescence
Sign Up to like & getrecommendations! Published in 2018 at "Physical Review B"
DOI: 10.1103/physrevb.97.115108
Abstract: Valence excitation spectra are computed for all deep-center silicon-vacancy defect types in 3C, 4H, and 6H silicon carbide (SiC) and comparisons are made with literature photoluminescence measurements. Nuclear geometries surrounding the defect centers are optimized… read more here.
Keywords: motion coupled; center; excitation spectra; excitation ... See more keywords
Excitation Spectra in Crystal Plasticity.
Sign Up to like & getrecommendations! Published in 2017 at "Physical review letters"
DOI: 10.1103/physrevlett.119.265501
Abstract: Plastically deforming crystals exhibit scale-free fluctuations that are similar to those observed in driven disordered elastic systems close to depinning, but the nature of the yielding critical point is still debated. Here, we study the… read more here.
Keywords: crystal plasticity; excitation spectra; excitation; spectra crystal ... See more keywords
Spectroscopic identification of individual fluorophores using photoluminescence excitation spectra
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Microscopy"
DOI: 10.1111/jmi.12679
Abstract: The identity of a fluorophore can be ambiguous if other fluorophores or nonspecific fluorescent impurities have overlapping emission spectra. The presence of overlapping spectra makes it difficult to differentiate fluorescent species using discrete detection channels… read more here.
Keywords: photoluminescence excitation; excitation spectra; spectroscopy; excitation ... See more keywords
Fluorescence Excitation Spectra of Total Lipids with Paramagnetic Properties Isolated from Marine Organisms
Sign Up to like & getrecommendations! Published in 2020 at "Doklady Biochemistry and Biophysics"
DOI: 10.1134/s1607672920030114
Abstract: Abstract Results of analysis of fluorescence excitation spectra of total lipid extracts of marine hydrobionts are presented. Previously, identical paramagnetic centers were recorded in these extracts by EPR spectroscopy. Analysis of fluorescence excitation spectra of… read more here.
Keywords: fluorescence excitation; excitation spectra; spectra total; total lipids ... See more keywords
Two-Photon Excitation Spectra of Various Fluorescent Proteins within a Broad Excitation Range
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms232113407
Abstract: Two-photon excitation fluorescence laser-scanning microscopy is the preferred method for studying dynamic processes in living organ models or even in living organisms. Thanks to near-infrared and infrared excitation, it is possible to penetrate deep into… read more here.
Keywords: fluorescent proteins; two photon; excitation; excitation spectra ... See more keywords