Molecular mechanics simulations of lattice dynamical properties of the spin crossover complex [Fe(pyrazine)][Ni(CN)4]
Shiteng Mi, Alaa Fahs, Gábor Molnár, William Nicolazzi, Azzedine Bousseksou
Topics & Concepts
Spin crossoverForce field (fiction)Condensed matter physicsMolecular dynamicsCrossoverRaman spectroscopyRaman scatteringLattice (music)PyrazineMaterials sciencePhysicsChemistryQuantum mechanicsComputer scienceArtificial intelligenceStereochemistryAcousticsMagnetism in coordination complexesElectron Spin Resonance StudiesOrganic and Molecular Conductors Research