Sentence examples for molecular trajectories from inspiring English sources

Using a Monte Carlo method, molecular trajectories of gas molecules inside the pores were computed in the Knudsen regime to obtain the diffusivities, collision numbers and collision densities.

Moreover, the force calculation to integrate the molecular trajectories is found to contribute a negligible amount to the overall ED/TD simulation time.

The use of a Stark decelerator in the experiment brings the advantage that the spatial, velocity and temporal distributions of the NO packet are extremely well known from numerical simulations of the molecular trajectories inside the decelerator.

Molecular trajectories from these steady-state systems, containing 100,000 iterations (equivalent to a time interval of 100,000 × 2 fs = 0.2 ns), were used to determine position-dependent diffusion constants and average molecular y-coordinates.

Changing the X-ray geometry to probe molecular trajectories within the thickness of such films reveals considerable anisotropy; the molecules statistically adopt a chain direction parallel to the film surface.

Even if, per impossible, an account that traced individual molecular trajectories were to be produced, there are important respects in which it would not provide the sort of explanation of the macroscopic behavior of the gas that we are likely to be looking for and not just because such an account would be far too complex to be followed by a human mind.

The transition path is a tiny fraction of a molecular trajectory during which the free-energy barrier is crossed.

The complementary techniques of small angle neutron scattering (SANS) and infra-red spectroscopy have been used to determine features of molecular trajectory for isotopic blends incorporating linear polyethylene and copolymers containing butyl or hexyl branches.

Fluorescence intensity was monitored in both channels for each molecular trajectory.

Fluoroscence intensity was monitored in both channels for each molecular trajectory.

Each molecular trajectory was split into periods spent hybridized or searching for a complementary strand.