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Development of accurate potentials for the physisorption of water on graphene
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Narrow homogeneous linewidths and slow cooling dynamics across infrared intra-band transitions in n-doped HgSe colloidal quantum dots
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A roadmap to decipher ultrafast photophysics in two-dimensional nanomaterials
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The significance of fluctuating charges for molecular polarizability and dispersion coefficients
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A new framework for frequency-dependent polarizable force fields
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Near-exact treatment of seniority-zero ground and excited states with a Richardson-Gaudin mean-field
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Constrained iterative Hirshfeld charges : a variational approach
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Uncovering phase transitions that underpin the flat-planes in the tilted Hubbard model using subsystems and entanglement measures
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Sampling efficiency of the counting method for permeability calculations estimated with the inhomogeneous solubility–diffusion model
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Charge transfer from Eu2+ to trivalent lanthanide co-dopants : systematic behavior across the series