Harmonic vibrational frequencies: Scale factors for pure, hybrid, hybrid meta, and double-hybrid functionals in conjunction with correlation consistent basis sets

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|
作者：
Laury, Marie L. [1 ]
Boesch, Scott E. [2 ]
Haken, Ian [1 ]
Sinha, Pankaj [1 ]
Wheeler, Ralph A. [3 ]
Wilson, Angela K. [1 ]
机构：
[1] Univ N Texas, Dept Chem, Denton, TX 76203 USA
[2] Duquesne Univ, Dept Chem & Biochem, Pittsburgh, PA 15282 USA
[3] Duquesne Univ, Dept Chem, Pittsburgh, PA 15282 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2011年 / 242卷
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
228-COMP
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页数：1
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