CASPT2 molecular geometries of Fe(II) spin-crossovercomplexes
{Using|Utilizing|Making use of|Employing|Working with|Applying} {fully|totally|completely} internally contracted (FIC)-CASPT2 analytical gradients, geometry optimizations of spin-crossover complexes are reported. This {approach|method|strategy} is tested on a series of Fe(II) complexes with {different|various|distinct|diverse|unique|distinctive} sizes,…