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First-principles based group additivity values for thermochemical properties of substituted aromatic compounds

(2015) AICHE JOURNAL. 61(11). p.3858-3870
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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

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Citation

Please use this url to cite or link to this publication:

Chicago
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.
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.
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.
MLA
Ince, Alper, Hans-Heinrich Carstensen, Marie-Françoise Reyniers, et al. “First-principles Based Group Additivity Values for Thermochemical Properties of Substituted Aromatic Compounds.” AICHE JOURNAL 61.11 (2015): 3858–3870. Print.
@article{6970341,
  author       = {Ince, Alper and Carstensen, Hans-Heinrich and Reyniers, Marie-Fran\c{c}oise and Marin, Guy},
  issn         = {0001-1541},
  journal      = {AICHE JOURNAL},
  keyword      = {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://dx.doi.org/10.1002/aic.15008},
  volume       = {61},
  year         = {2015},
}

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