2011•Spectrochimica Acta Part A Molecular and Biomolecular SpectroscopyRequires access

Characterization of pentacarbonyl(4-methylpyridine)chromium(0) complex using density functional theory (DFT) and Hartree–Fock (HF) computational methods

İzzet Amour Morkan, Ayşe Uztetik Morkan

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Key concepts: Basis set, Density functional theory, Bond length, Molecular orbital, Ab initio, Molecular geometry, HOMO/LUMO, Chemistry

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Characterization of pentacarbonyl(4-methylpyridine)chromium(0) complex using density functional theory (DFT) and Hartree–Fock (HF) computational methods — Research Paper | ScholarLens