Improved simple protocols to calculate hydrocarbon enthalpies of formation from ab initio total energies

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作者：
Castro, Eduardo A. [1 ]
机构：
[1] CEQUINOR, Departamento de Química, UNLP, C.C. 962, , La Plata, Argentina
来源：
Computers and Chemistry | 1997年 / 21卷 / 05期
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摘要：
25
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页码：305 / 308
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