Four‐component relativistic DFT calculations of 77Se NMR chemical shifts: A gateway to a reliable computational scheme for the medium‐sized organoselenium molecules

Publisher： John Wiley & Sons Inc

E-ISSN： 1096-987x|36|23|1756-1762

ISSN： 0192-8651

Source： JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.36, Iss.23, 2015-09, pp. : 1756-1762

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