HIGHLIGHTS
- who: Amin Alibakhshi from the InstitutChristian-Albrechts-University have published the research work: Accurate evaluation of combustion enthalpy by ab-initio computations, in the Journal: Scientific Reports Scientific Reports
- what: The aim of this study is to investigate and benchmark the impact of these intricacies and demonstrate the employment of ab-initio quantum chemical computations for achieving high accuracy prediction of combustion enthalpy.
SUMMARY
| 1 Vol.:(0123456789) Theoretical evaluation of combustion enthalpies Precise evaluation of enthalpies of gas-phase reactions is commonly achieved via ab-initio computation of enthalpies for the . . .
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