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- Journal Article
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- open access
Substituent effects on absorption spectra of pH indicators: an experimental and computational study of sulfonphthaleine dyes
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- Journal Article
- A1
- open access
Modeling 1D structures on semiconductor surfaces: synergy of theory and experiment
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Understanding the dosimetric powder EPR spectrum of sucrose by identification of the stable radiation-induced radicals
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Formation energy of intrinsic point defects in nanometer-thick Si and Ge foils and implications for Ge crystal growth from a melt
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Mechanistic studies on chabazite-type methanol-to-olefin catalysts: insights from time-resolved UV/Vis microspectroscopy combined with theoretical simulations
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- Journal Article
- A1
- open access
Extending Hirshfeld-I to bulk and periodic materials
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Room temperature radiation products in trehalose single crystals : EMR and DFT analysis
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Surface-induced charge at a Ge (100) dimer surface and its interaction with vacancies and self-interstitials
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- Journal Article
- A1
- open access
ACKS2: Atom-condensed Kohn-Sham DFT approximated to second order
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Origins of the solvent effect on the propagation kinetics of acrylic acid and methacrylic acid