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Integrity report for xDH double hybrid functionals can be qualitatively incorrect for non-equilibrium geometries: Dipole moment inversion and barriers to radical-radical association using XYG3 and XYGJ-OS

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arXiv:1803.10284 · pith:2018:27DPGJML3LMAMEBTBZJH5GXBBK

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Paper page arXiv integrity.json bundle.json

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Signed record

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