129 Xe NMR chemical shift in Xe@C 60 calculated at experimental conditions: Essential role of the relativity, dynamics, and explicit solvent

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Authors: Stanislav Standara, Petr Kulhánek, Radek Marek, Michal Straka

Journal title: Journal of Computational Chemistry

Journal number: 01928651

Journal publisher: John Wiley & Sons Inc.

Published year: 2013

Published pages: 1890-1898

DOI identifier: 10.1002/jcc.23334

ISSN: 0192-8651