Relative electronic and free energies of octane's unique conformations-Reference-Cited by-同舟云学术

Relative electronic and free energies of octane's unique conformations

Published:2016-12-14 Issue:9-12 Volume:115 Page:1155-1165
ISSN:0026-8976
Container-title:Molecular Physics
language:en
Short-container-title:Molecular Physics

Author:

Kirschner Karl N.¹²,Heiden Wolfgang¹²,Reith Dirk²³

Affiliation:

1. Department of Computer Science, Bonn-Rhein-Sieg University of Applied Sciences, Sankt Augustin, Germany

2. Institute of Visual Computing, Bonn-Rhein-Sieg University of Applied Sciences, Sankt Augustin, Germany

3. Department of Electrical Engineering, Mechanical Engineering and Technical Journalism, Bonn-Rhein-Sieg University of Applied Sciences, Sankt Augustin, Germany

Funder

Ministry for Innovation, Science, Research, and Technology of the state Northrhine-Westfalia

Publisher

Informa UK Limited

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics

Link

https://www.tandfonline.com/doi/pdf/10.1080/00268976.2016.1262076

Reference67 articles.

1. Experimental Investigation of the Low Temperature Oxidation of the Five Isomers of Hexane

2. 1,4-Hydroxycarbonyl Products of the OH Radical Initiated Reactions of C5−C8 n-Alkanes in the Presence of NO

3. A comprehensive detailed chemical kinetic reaction mechanism for combustion of n-alkane hydrocarbons from n-octane to n-hexadecane

4. A reaction mechanism for gasoline surrogate fuels for large polycyclic aromatic hydrocarbons

5. Mechanism for OH-Initiated Oxidation ofn-Octane in the Presence of O2and NO: A DFT Study

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