Ab Initio Calculation of UV–vis Absorption of Parent Mg, Fe, Co, Ni, Cu, and Zn Metalloporphyrins Relativistic restricted active space (RAS) second-order multireference perturbation theory (MRPT2) methods, incorporating spin–orbit (SO) coupling perturbatively via state interaction (SO-MRPT2/RASSCF...

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Ab Initio Calculation of UV–vis Absorption of Parent Mg, Fe, Co, Ni, Cu, and Zn Metalloporphyrins (Havlas, Michl) - @InorgChem: doi.org/10.1021/acs....
 
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Renowned CZ-USA chemist Josef Michl, a pioneer in photochemistry and molecular electronics, has passed away at 85. His groundbreaking work and mentorship leave a lasting legacy. He will be deeply missed. #JosefMichl #ChemistryLegacy