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Fourth stable radical species in X-irradiated solid-state sucrose
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Halochromic properties of sulfonphthaleine dyes in a textile environment: the influence of substituents
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- Journal Article
- A1
- open access
Suppression of the aromatic cycle in methanol-to-olefins reaction over ZSM-5 by post-synthetic modification using calcium
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- Journal Article
- A1
- open access
Acidity constant (pKa) calculation of large solvated dye molecules : evaluation of two advanced molecular dynamics methods
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A single-event microKinetic model for the cobalt catalyzed fischer-tropsch synthesis
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DFT-based microkinetic modeling of ethanol dehydration in H-ZSM-5
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First principles kinetic study on the effect of zeolite framework on 1-butanol dehydration
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Key role of surface hydroxyl groups in C−O activation during fischer−tropsch synthesis
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The local response of global descriptors
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Benchmark values of chemical potential and chemical hardness for atoms and atomic ions (including unstable anions) from the energies of isoelectronic series
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The effect of hydrogen bond strength on emission properties in 2-(2'-hydroxyphenyl)imidazo[1,2-a]pyridines
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eReaxFF : a pseudoclassical treatment of explicit electrons within reactive force field simulations
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Shape and size of cobalt nano-islands formed spontaneously on cobalt terraces during Fischer-Tropsch synthesis
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Ligand addition energies and the stoichiometry of colloidal nanocrystals
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In silico olefin metathesis with Ru-based catalysts containing N-heterocyclic carbenes bearing C-60 fullerenes