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This chapter provides an overview of the development of spin crossover (SCO), its current status, and possible future developments, and focuses mainly on mononuclear systems. The most widely studied SCO materials involve six‐coordinate transition metal (TM) centers. A major theme of SCO research is the quest for hysteretic materials with transitions centered around room temperature. Extensive research...
The development and application of molecular mechanics methods which include an explicit treatment of d-electron effects are reviewed. The origins of the authors’ ligand field molecular mechanics (LFMM) method are traced from Hitchman's simple expression for predicting the M–L bond length change accompanying a d–d transition through to the general implementation of LFMM within the molecular operating...
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