First-Principles Crystal Structure Prediction of Cu(I)-TCNQ Polymorphs
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DOI: 10.1021/acs.jpcc.9b09007
Abstract: There is a lack of consensus on the crystal structure and polymorphism of Cu(I)-TCNQ, even though an enormous work and great achievements have been reported along decades. This motivated us to perform a crystal structure… read more here.
Keywords: crystal structure; local minimum; structure prediction; structure ... See more keywords
Minimum structure of high-harmonic spectra from aligned O2 and N2 molecules
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DOI: 10.1088/1674-1056/abfbd9
Abstract: We experimentally investigated the high-order harmonic generation (HHG) from aligned O2 and N2 molecules in a linearly polarized laser field, and presented the dependence of the harmonic spectrum on the driving laser intensity and molecular… read more here.
Keywords: laser intensity; structure high; aligned molecules; minimum structure ... See more keywords
Mitocryptide-2: Identification of Its Minimum Structure for Specific Activation of FPR2–Possible Receptor Switching from FPR2 to FPR1 by Its Physiological C-terminal Cleavages
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DOI: 10.3390/ijms22084084
Abstract: Mitocryptides are a novel family of endogenous neutrophil-activating peptides originating from various mitochondrial proteins. Mitocryptide-2 (MCT-2) is one of such neutrophil-activating peptides, and is produced as an N-formylated pentadecapeptide from mitochondrial cytochrome b. Although MCT-2… read more here.
Keywords: mct; fpr2; activation; receptor ... See more keywords