Adequate initial configurations for molecular dynamics simulations consist of arrangements
of molecules distributed in space in such a way to approximately represent the system's …

Adequate initial configurations for molecular dynamics simulations consist of arrangements
of molecules distributed in space in such a way to approximately represent the system's …

We have performed molecular dynamics (MD) simulations to investigate self-assembly at
water–trichloroethylene (TCE) interfaces with the emphasis on systems containing modified …

Existing texts on the statistical mechanics of liquids treat only spherical molecules. However,
nearly all fluids of practical interest are composed of non-spherical molecules that are often …

Infrared-pump, electronic-probe (IPEP) spectroscopy is used to measure heat flow into and
out of CdSe nanocrystals suspended in an organic solvent, where the surface ligands are …

We have used molecular dynamics simulations to investigate the in situ self-assembly of
modified hydrocarbon nanoparticles (mean diameter of 1.2 nm) at a water− trichloroethylene …

Using equilibrium molecular dynamics simulations, we investigate the structure of
chloroform− water and dichloromethane− water interfaces. These systems are analyzed in …

Atomistic molecular dynamic simulations were performed to investigate the adsorption
behavior of poly (acrylic acid)(PAA) and poly (methacrylic acid)(PMA) at the CCl4–H2O …

We have performed molecular dynamics (MD) simulations to investigate self-assembly at
water–trichloroethylene (TCE) interfaces with the emphasis on systems containing sodium …

Homogenization of hexadecane in water at pH 9 gives the same surface charge density in
the presence of 0.2 mM thiocyanate or acetate anions as in the presence of chloride …