First principles optimally tuned range-separated density functional theory for prediction of phosphorus–hydrogen spin–spin coupling constants
2016 ◽
Vol 18
(27)
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pp. 18431-18440
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Keyword(s):
The novel optimally tuned range-separated approximations for predicting NMR spin–spin coupling constants are proposed and benchmarked numerically.
2015 ◽
Vol 143
(24)
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pp. 244107
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2003 ◽
Vol 118
(21)
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pp. 9572-9581
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2003 ◽
Vol 101
(13)
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pp. 1997-2002
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1996 ◽
Vol 105
(19)
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pp. 8793-8800
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2009 ◽
Vol 130
(13)
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pp. 134508
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2003 ◽
Vol 58
(11)
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pp. 1041-1044
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2000 ◽
Vol 113
(21)
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pp. 9402-9409
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