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DFT study of substitution effect on the geometry, IR spectra, spin state and energetic stability of the ferrocenes and their pentaphospholyl analogues

Organic Charge-transfer CompoundInorganic ChemistryEngineeringPhysicsSubstitution EffectNatural SciencesMolecular MaterialOrganic ChemistryPhysical ChemistryEnergetic StabilityChemistryDft StudyMolecule-based MaterialSpectra-structure Correlation