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Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional

Accurate potential energy surfaces for hydrogen abstraction reactions: A benchmark study on the XYG3 doubly hybrid density functional

Chen, Jun; Su, Neil Qiang; Xu, Xin; Zhang, Dong H.

期刊名称Journal of Computational Chemistry
作者Chen, Jun; Su, Neil Qiang; Xu, Xin; Zhang, Dong H.
印刷ISSN0192-8651
文件大小1061.69KB
发表时间2017-08-07
DOI10.1002/jcc.24886

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