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A  PROTOCOL FOR HIGH-ACCURACY THEORETICAL THERMOCHEMISTRY A  PROTOCOL FOR HIGH-ACCURACY THEORETICAL THERMOCHEMISTRY

A PROTOCOL FOR HIGH-ACCURACY THEORETICAL THERMOCHEMISTRY - PowerPoint Presentation

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Uploaded On 2018-02-07

A PROTOCOL FOR HIGH-ACCURACY THEORETICAL THERMOCHEMISTRY - PPT Presentation

Bradley Welch and Richard Dawes Introduction What is the Active Thermochemical Tables ATcT Branko RuscicArgonne National Laboratory Methyl Peroxides and Methyl Hydroperoxide ID: 628916

ccsd vpt2 methyl atct vpt2 ccsd atct methyl mol thermochemical f12b results 127 b3lyp 1440 chem 2967 tae composite

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