Molecular dynamics - Simulation methods.

Transient changes in molecular geometries and how to model them = simulating chemical reactions of metal complexes in solution to explore dynamics, solvation, coherence, and the link to experiment / by: (Language materials, printed)

Forcefields for atomistic-scale simulations = materials and applications / by: (Electronic resources)

Molecular structure.

Chemistry.

Molecular Dynamics.

Force and energy.

Nanotechnology.

Atomic and Molecular Structure and Properties.

Atomic and Molecular Clusters.

Chemical reactions- Simulation methods.

Metal complexes.

Spectroscopy/Spectrometry.

Physical Chemistry.

Molecules- Models

Molecular dynamics- Simulation methods.

Theoretical and Computational Chemistry.

Atomistic Models.