DFT and canonical ensemble investigations of gasoline additives at the gas phase: ETBE, MTBE, DIPE, ethanol and methanol | Health & Environmental Research Online (HERO)

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HERO ID

5343951

Reference Type

Journal Article

Title

DFT and canonical ensemble investigations of gasoline additives at the gas phase: ETBE, MTBE, DIPE, ethanol and methanol

Author(s)

Pereira, ILG; Neto, AFG; Moraes, ES; Sousa, BSM; Chen, J; Costa, JFS; Neto, AMJC

Year

2018

Is Peer Reviewed?

Journal

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)
ISSN: 1432-881X
EISSN: 1432-2234

Volume

137

Issue

DOI

Web of Science Id

WOS:000446276700001

Keywords

Additives of gasoline; DFT; Thermodynamic properties; Equilibrium; Combustion; Temperature change