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Synthesis, Characterization, MCD Spectroscopy, and TD-DFT Calculations of Copper-Metalated Nonperipherally Substituted Octaoctyl Derivatives of Tetrabenzotriazaporphyrin, cis- and trans-Tetrabenzodiazaporphyrin, Tetrabenzomonoazaporphyrin, and ...

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Decomposition pathways for the photoactivated anticancer complex cis,trans, cis-[Pt(N3)2(OH)2(NH3)2]: insights from DFT calculations - Physical Chemistry Chemical Physics (RSC Publishing)

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K − LL Auger spectrum of ozone obtained from CIS calculations after... | Download Scientific Diagram

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Geometry calculations of the stable ground state isomers (A)... | Download Scientific Diagram

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