Search Results - "Pierloot, Kristin" :: K.UTB vyhledávací portál

Embedding Fragment ab Initio Model Potentials in CASSCF/CASPT2 Calculations of Doped Solids: Implementation and Applications

by Swerts, Ben, Chibotaru, Liviu F, Lindh, Roland, Seijo, Luis, Barandiaran, Zoila, Clima, Sergiu, Pierloot, Kristin, Hendrickx, Marc F. A
Published in Journal of chemical theory and computation (01.04.2008)

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Theoretical aspects of photochemical substitution of [Mn(CO)5Cl] and related complexes

by Pierloot, Kristin, Hoet, Patrick, Vanquickenborne, Luc G.
Published in Journal of the Chemical Society. Dalton transactions (1991)

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Embedding Fragment ab Initio Model Potentials in CASSCF/CASPT2 Calculations of Doped Solids: Implementation and Applications

Theoretical aspects of photochemical substitution of [Mn(CO)5Cl] and related complexes

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