An efficient method for generating property-energy consistent basis sets. New pecJ-n (n = 1, 2) basis sets for high-quality calculations of indirect nuclear spin-spin coupling constants involving 1H, 13C, 15N, and 19F nuclei
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This paper presents a new method of generating property-energy consistent (PEC) basis sets that can be applied to any arbitrary molecular property. The PEC method generates a basis set that...
2009 ◽
Vol 47
(3)
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pp. 210-221
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2009 ◽
Vol 47
(8)
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pp. 674-683
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2001 ◽
Vol 115
(3)
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pp. 1324-1334
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2006 ◽
Vol 2
(4)
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pp. 1028-1037
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2012 ◽
Vol 546
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pp. 153-158
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2010 ◽
Vol 133
(5)
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pp. 054308
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2000 ◽
Vol 112
(14)
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pp. 6201-6208
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