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pro vyhledávání: '"Michal Bezek"'
Publikováno v:
International Journal of Quantum Chemistry. 118:e25534
Triplet state mechanism of [2 + 2] photocycloaddition forming a cyclobutane ring from two ethylenes is investigated in the context of photocatalysis. High-level ab initio calculations are combined with ab initio adiabatic molecular dynamics and ab in