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1 May 2019: We have used the Gauss-Legendre inte-gration scheme and have included the first-order quantum-correction [24, 33, 44], thoughthe latter does not make a significant contribution owing to the ... 19]; Potential fitted to ab initiointeraction energies of

1 May 2019: The integration time stepwas set to 1 fs and trajectories were integrated using the velocity Verlet algorithm [71, 80].All simulations were performed using the GROMACS 4.5.3 [24] program. ... At 500 K the average pres-. 18. 24. 68. 10 0 200400 600.

1 May 2019: 24. 6.3 Parameter estimates and high probability density regions. 33. 6.4 Varied starting position. ... 2.24. 899. 5094. 1.38. 650. 9809. 0.01. 081. 2024. Run. 41.

1 May 2019: 23. 7.2 Error Analysis. 24. Nomenclature 25. References 27. Citation Index 29. ... 24.0 3.5 14.5 917 71 7.8 1098 61 5.595% isooctane, 5% tol.

1 May 2019: Combustionand Flame, 149:2 – 24, 2007. [3] ANSI. Standard test method for motor octane number of spark-ignition engine fuel.Technical Report D2700-08, ASTM,. ... 24] R. Niven. Ethanol in gasoline: environmental impacts and sustainability reviewarticle.

1 May 2019: This optimisation procedure has been applied in variousprevious works with a high level of success [24] [3] [18]. ... 59 3.511.01 1227–1555 0.5 24.83 5.981.01 1399–2026 2 4.09 6.23.

1 May 2019: HCCI Combustion Control Using Dual-Fuel Approach: Experimental and Modeling Investigations. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. HCCI Combustion Control Using Dual-FuelApproach: Experimental and

1 May 2019: 24], 4Su et al. [25], 4, 5, 8, 11, 14Subramaniam and Pope [26], 8Wang et al. ... 27], 4. 24. Introduction. Exploiting the potential of these models for IC engine applications.

1 May 2019: SAE Paper No. 2005-01-3742, 2005.http://dx.doi.org/10.4271/2005-01-3742. [24] S. Pope. PDF methods for turbulent reactive flows. ... 23], 4, 6Pope [24], 4, 5Smallbone et al. [25], 4, 5, 7, 8Smith et al.

1 May 2019: The Semantics of Chemical Markup Language (CML) for Computational Chemistry : CompChem. Preprint Cambridge Centre for Computational Chemical Engineering ISSN 1473 – 4273. The Semantics of Chemical MarkupLanguage (CML) for Computational. Chemistry :