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"The numerical accuracy of truncated Ewald sums for periodic systems with long-range Coulomb interactions"

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$ΔI=4$ and $ΔI=8$ bifurcations in rotational bands of diatomic molecules

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(p,q)-Sheaves and the Representability Problem

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1-Density Operators and Algebraic Version of The Hohenberg-Kohn Theorem

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A "partitioned leaping" approach for multiscale modeling of chemical reaction dynamics

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A Blocking Technique for Emulating Very Large Polyelectrolytes

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A Bright, Guided Molecular Beam With Hydrodynamic Enhancement

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A central partition of molecular conformational space. II. Embedding 3D structures

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A cluster partitioning method: determination of density matrices of solids and comparison with X-ray experiments

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A cluster theory for a Janus fluid

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A collaborative theoretical and experimental study of the structure and electronic excitation spectrum of the BAr and B(Ar)2 complexes

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A compact analytical formalism for current transients in electrochemical systems

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A Comparative Study of the Formation of Aromatics in Rich Methane Flames Doped by Unsaturated Compounds

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A comparative study of the low energy HD+o-/p-H2 rotational excitation/de-excitation collisions and elastic scattering

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A comparison between algebraic models of molecular spectroscopy

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A Comparison of Physical Properties and Fuel Cell Performance of Nafion and Zirconium Phosphate/Nafion Composite Membranes

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A complex chemical kinetic mechanism for the oxidation of gasoline surrogate fuels: n heptane, iso octane and toluene - Mechanism development and validation

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A Computational Methodology to Screen Activities of Enzyme Variants

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A computational study of 13-atom Ne-Ar cluster heat capacities

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A Computational Study of Thirteen-atom Ar-Kr Cluster Heat Capacities

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