Understanding the extraordinary deshielding of 129Xe in a permetalated cryptophane by relativistic DFT
Articolo
Data di Pubblicazione:
2012
Abstract:
Relativistic ZORA DFT calculations highlight the various factors (solvent effect, spin-orbit coupling, number and type of metal centres) responsible of the extraordinarily large deshielding of xenon encapsulated in a metallated cryptophane
Tipologia CRIS:
01.01 Articolo in rivista
Elenco autori:
Saielli, Giacomo
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