The mixed level of theory in which the nucleus calculated at B3LYP/6−31+G(d) is shown as ball & bond type and periphery region calculated at PM6 is shown as wireframe.

Mengzhe Guo (619748)
Youlu Pan (619749)
Rong Zhang (44942)
Yang Cao (53545)
Jianzhong Chen (576382)
Yuanjiang Pan (598920)

Publication date

August 2014

DOI

10.1371/journal.pone.0104835.g009

Abstract

<p>The mixed level of theory in which the nucleus calculated at B3LYP/6−31+G(d) is shown as ball & bond type and periphery region calculated at PM6 is shown as wireframe.</p

Extracted data

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The mixed level of theory in which the nucleus calculated at B3LYP/6−31+G(d) is shown as ball & bond type and periphery region calculated at PM6 is shown as wireframe.

Abstract

Extracted data

The mixed level of theory in which the nucleus calculated at B3LYP/6−31+G(d) is shown as ball & bond type and periphery region calculated at PM6 is shown as wireframe.

Abstract

Extracted data

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