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A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
National licenceAmerican Institute of Physics | 2010| -
Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q-range
National licenceAmerican Institute of Physics | 2013| -
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory
American Institute of Physics | 2017| -
Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvement
American Institute of Physics | 2017| -
Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform
American Institute of Physics | 2017| -
How fast does water flow in carbon nanotubes?
National licenceAmerican Institute of Physics | 2013| -
Perspective: Differential dynamic microscopy extracts multi-scale activity in complex fluids and biological systems
Free accessAmerican Institute of Physics | 2017| -
Exploring the broadening and the existence of two glass transitions due to competing interfacial effects in thin, supported polymer films
American Institute of Physics | 2017| -
Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory
Free accessAmerican Institute of Physics | 2012| -
Polymer and spherical nanoparticle diffusion in nanocomposites
American Institute of Physics | 2017| -
Shortcomings of the bond orientational order parameters for the analysis of disordered particulate matter
National licenceAmerican Institute of Physics | 2013| -
Perspective: Coarse-grained models for biomolecular systems
Free accessAmerican Institute of Physics | 2013| -
Predicting reaction coordinates in energy landscapes with diffusion anisotropy
American Institute of Physics | 2017| -
Molecular dynamics simulations with replica-averaged structural restraints generate structural ensembles according to the maximum entropy principle
National licenceAmerican Institute of Physics | 2013| -
On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method
National licenceAmerican Institute of Physics | 2013| -
Glassy dynamics of polymethylphenylsiloxane in one- and two-dimensional nanometric confinement—A comparison
American Institute of Physics | 2017| -
Theory of polyelectrolyte complexation—Complex coacervates are self-coacervates
American Institute of Physics | 2017|
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