Understanding the extraordinary deshielding of 129Xe in a permetalated cryptophane by relativistic DFT
Academic Article
Publication Date:
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
Iris type:
01.01 Articolo in rivista
List of contributors:
Saielli, Giacomo
Published in: