A theoretical study of the accurate anal
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Jun Zhao; Hui Zeng; Zhenghe Zhu
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Article
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2011
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Elsevier
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English
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In this paper, the energy, equilibrium geometry and harmonic frequency of the ground electronic state X 1 R + of AlF have been calculated utilizing two quantum chemical methods (CCSD(T) and QCISD(T)) with four different basis sets and 6-311G(3df)). Comparing various computational results mentioned a