Relative electronic and free energies of octane's unique conformations
| Document Type: | Article |
|---|---|
| Language: | English |
| Author: | Karl N. Kirschner, Wolfgang Heiden, Dirk Reith |
| Parent Title (English): | Molecular Physics |
| Volume: | 115 |
| Issue: | 9-12 |
| First Page: | 1155 |
| Last Page: | 1165 |
| ISSN: | 0026-8976 |
| DOI: | https://doi.org/10.1080/00268976.2016.1262076 |
| Publisher: | Taylor & Francis |
| Date of first publication: | 2016/12/14 |
| Funding Information: | Funding for this research was provided by: Ministry for Innovation, Science, Research, and Technology of the state Northrhine-Westfalia (FH-Basis 2012 and GER08-16) |
| Keyword: | Alkane; MP2.5; fuel; hydrocarbon; lipid; octane; quantum mechanics |
| Departments, institutes and facilities: | Fachbereich Informatik |
| Fachbereich Elektrotechnik, Maschinenbau und Technikjournalismus | |
| Institut für Technik, Ressourcenschonung und Energieeffizienz (TREE) | |
| Institute of Visual Computing (IVC) | |
| Institut für funktionale Gen-Analytik (IFGA) | |
| Dewey Decimal Classification (DDC): | 5 Naturwissenschaften und Mathematik / 53 Physik / 530 Physik |
| Entry in this database: | 2017/01/06 |
