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  1. 1
    Multicrystalline Informatics Applied to Multicrystalline Silicon for Unraveling the Microscopic Root Cause of Dislocation Generation

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  2. 2
    Substitutional carbon defects in silicon A quantum mechanical characterization through the infrared and Raman spectra

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  3. 3
    Mechanism of the O2 (1 Δg ) generation from the Cl2 /H2 O2 basic aqueous solution explored by the combined ab initio calculation and nonadiabatic dynamics simulation

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  4. 4
    Ultrastrong Medium-Entropy Single-Phase Alloys Designed via Severe Lattice Distortion

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  5. 5
    xcalib a focal spot calibrator for intense X-ray free-electron laser pulses based on the charge state distributions of light atoms

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  6. 6
    Molecules under external electric field On the changes in the electronic structure and validity limits of the theoretical predictions

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  7. 7
    Theoretical simulation of CO2 capture in organic cage impregnated with polyoxometalates

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  8. 8
    Why is N···Be distance of NH3H(+)···DBeH shorter than that of NH3D(+)···HBeH? Paradoxical geometrical isotope effects for partially isotope-substituted dihydrogen-bonded isotopomers

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