A "partitioned leaping" approach for multiscale modeling of chemical reaction dynamics
A Blocking Technique for Emulating Very Large Polyelectrolytes
A Bright, Guided Molecular Beam With Hydrodynamic Enhancement
A central partition of molecular conformational space. II. Embedding 3D structures
A cluster partitioning method: determination of density matrices of solids and comparison with X-ray experiments
A cluster theory for a Janus fluid
A collaborative theoretical and experimental study of the structure and electronic excitation spectrum of the BAr and B(Ar)2 complexes
A compact analytical formalism for current transients in electrochemical systems
A Comparative Study of the Formation of Aromatics in Rich Methane Flames Doped by Unsaturated Compounds
A comparative study of the low energy HD+o-/p-H2 rotational excitation/de-excitation collisions and elastic scattering
A comparison between algebraic models of molecular spectroscopy
A Comparison of Physical Properties and Fuel Cell Performance of Nafion and Zirconium Phosphate/Nafion Composite Membranes
A complex chemical kinetic mechanism for the oxidation of gasoline surrogate fuels: n heptane, iso octane and toluene - Mechanism development and validation
A Computational Methodology to Screen Activities of Enzyme Variants
A computational study of 13-atom Ne-Ar cluster heat capacities
A Computational Study of Thirteen-atom Ar-Kr Cluster Heat Capacities
A Conceptual DFT Approach Towards Developing New QSTR Models
A Concise Method for Kinetic Energy Quantisation
A conclusive demonstration of vibrational pumping and determination of SERS cross sections
A continuous source of translationally cold dipolar molecules