First-principles based group additivity values for thermochemical properties of substituted aromatic compounds
- Author
- Alper Ince (UGent) , Hans-Heinrich Carstensen (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent)
- Organization
- Keywords
- thermochemistry, monocyclic aromatic hydrocarbons, group additivity, lignin pyrolysis, non-nearest neighbor interactions, SATURATED OXYGENATE COMPOUNDS, CENTERED RADICAL-ADDITION, PHASE STANDARD ENTHALPY, BETA-SCISSION REACTIONS, HINDERED-ROTOR MODEL, COMPLETE BASIS-SET, HEAT-CAPACITY, AB-INITIO, THERMODYNAMIC PROPERTIES, HYDROGEN ABSTRACTIONS
Downloads
-
(...).pdf
- full text
- |
- UGent only
- |
- |
- 172.71 KB
Citation
Please use this url to cite or link to this publication: http://hdl.handle.net/1854/LU-6970341
- MLA
- Ince, Alper, et al. “First-Principles Based Group Additivity Values for Thermochemical Properties of Substituted Aromatic Compounds.” AICHE JOURNAL, vol. 61, no. 11, 2015, pp. 3858–70, doi:10.1002/aic.15008.
- APA
- Ince, A., Carstensen, H.-H., Reyniers, M.-F., & Marin, G. (2015). First-principles based group additivity values for thermochemical properties of substituted aromatic compounds. AICHE JOURNAL, 61(11), 3858–3870. https://doi.org/10.1002/aic.15008
- Chicago author-date
- Ince, Alper, Hans-Heinrich Carstensen, Marie-Françoise Reyniers, and Guy Marin. 2015. “First-Principles Based Group Additivity Values for Thermochemical Properties of Substituted Aromatic Compounds.” AICHE JOURNAL 61 (11): 3858–70. https://doi.org/10.1002/aic.15008.
- Chicago author-date (all authors)
- Ince, Alper, Hans-Heinrich Carstensen, Marie-Françoise Reyniers, and Guy Marin. 2015. “First-Principles Based Group Additivity Values for Thermochemical Properties of Substituted Aromatic Compounds.” AICHE JOURNAL 61 (11): 3858–3870. doi:10.1002/aic.15008.
- Vancouver
- 1.Ince A, Carstensen H-H, Reyniers M-F, Marin G. First-principles based group additivity values for thermochemical properties of substituted aromatic compounds. AICHE JOURNAL. 2015;61(11):3858–70.
- IEEE
- [1]A. Ince, H.-H. Carstensen, M.-F. Reyniers, and G. Marin, “First-principles based group additivity values for thermochemical properties of substituted aromatic compounds,” AICHE JOURNAL, vol. 61, no. 11, pp. 3858–3870, 2015.
@article{6970341, author = {{Ince, Alper and Carstensen, Hans-Heinrich and Reyniers, Marie-Françoise and Marin, Guy}}, issn = {{0001-1541}}, journal = {{AICHE JOURNAL}}, keywords = {{thermochemistry,monocyclic aromatic hydrocarbons,group additivity,lignin pyrolysis,non-nearest neighbor interactions,SATURATED OXYGENATE COMPOUNDS,CENTERED RADICAL-ADDITION,PHASE STANDARD ENTHALPY,BETA-SCISSION REACTIONS,HINDERED-ROTOR MODEL,COMPLETE BASIS-SET,HEAT-CAPACITY,AB-INITIO,THERMODYNAMIC PROPERTIES,HYDROGEN ABSTRACTIONS}}, language = {{eng}}, number = {{11}}, pages = {{3858--3870}}, title = {{First-principles based group additivity values for thermochemical properties of substituted aromatic compounds}}, url = {{http://doi.org/10.1002/aic.15008}}, volume = {{61}}, year = {{2015}}, }
- Altmetric
- View in Altmetric
- Web of Science
- Times cited: