Molecular dynamics - Simulation methods.

Transient changes in molecular geometries and how to model themsimulating chemical reactions of metal complexes in solution to explore dynamics, solvation, coherence, and the link to experiment / by: (書目-電子資源)

Forcefields for atomistic-scale simulationsmaterials and applications / by: (書目-電子資源)

Molecular structure.

Chemistry.

Molecular Dynamics.

Molecules

Force and energy.

Nanotechnology.

Atomic and Molecular Structure and Properties.

Chemical reactions

Atomic and Molecular Clusters.

Metal complexes.

Spectroscopy/Spectrometry.

Physical Chemistry.

Molecular dynamics

Theoretical and Computational Chemistry.

Atomistic Models.