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Performance of the major semiempirical, ab initio, and density functional theory methods in evaluating isomerization enthalpies for linear to branched heptanes

Performance of the major semiempirical, ab initio, and density functional theory methods in evaluating isomerization enthalpies for linear to branched heptanes

Rayne, Sierra; Rayne, Sierra; Forest, Kaya
  • 期刊名称Nature Precedings
  • 作者Rayne, Sierra; Rayne, Sierra; Forest, Kaya
  • 印刷ISSN1756-0357
  • 文件大小134.08KB
  • 发表时间2010-9-7
  • DOI10.1038/npre.2010.4865.1
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