Template:Cite: Difference between revisions
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bib=T. Gregor, F. Mauri, R. Car, ''A comparison of methods for the calculation of NMR chemical shifts'', J. Chem. Phys. '''111''', 1815 (1999).| | bib=T. Gregor, F. Mauri, R. Car, ''A comparison of methods for the calculation of NMR chemical shifts'', J. Chem. Phys. '''111''', 1815 (1999).| | ||
link=https://doi.org/10.1063/1.479451 | link=https://doi.org/10.1063/1.479451 | ||
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Reference|key=dewijs:jcp:2017|show={{{1}}}| | |||
bib=F. Vasconcelos, G.A. de Wijs, R. W. A. Havenith, M. Marsman, G. Kresse, ''Finite-field implementation of NMR chemical shieldings for molecules: Direct and converse gauge-including projector-augmented-wave methods'', J. Chem. Phys. 139, 014109 (2013).| | |||
link=https://doi.org/10.1063/1.4810799 | |||
}}{{ | |||
Reference|key=dewijs:jcp:2018|show={{{1}}}| | |||
bib=G.A. de Wijs, G. Kresse, R. W. A. Havenith, M. Marsman, ''Comparing GIPAW with numerically exact chemical shieldings: The role of two-center contributions to the induced current'', J. Chem. Phys. 155, 234101 (2021).| | |||
link=https://doi.org/10.1063/5.0069637 | |||
}}{{ | |||
Reference|key=jenssen:pccp:2016|show={{{1}}}| | |||
bib=S.R. Jensen, T. Flå, D. Jonsson, R.S. Monstad, K. Ruud, L. Frediani, ''Magnetic properties with multiwavelets and DFT: the complete basis set limit achieved'', Phys. Chem. Chem. Phys. 18, 21145 (2016).| | |||
link=https://doi.org/10.1039/C6CP01294A | |||
}} | }} |
Latest revision as of 15:41, 25 February 2025
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