J. Chem. Phys

Recent Papers/Articles

Communication: Multiple-property-based diabatization for open-shell van der Waals molecules

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High pressure structural changes in aluminium triiodide: A first principles study

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GW and Bethe-Salpeter study of small water clusters

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Wetting transitions on patterned surfaces with diffuse interaction potentials embedded in a Young-Laplace formulation

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Locally weighted histogram analysis and stochastic solution for large-scale multi-state free energy estimation

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First passage times in homogeneous nucleation: Dependence on the total number of particles

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Atomically resolved structure of ligand-protected Au9 clusters on TiO2 nanosheets using aberration-corrected STEM

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Understanding the ordering mechanisms of self-assembled nanostructures of block copolymers during zone annealing

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A spherical cavity model for quadrupolar dielectrics

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