Unraveling the Reaction Mechanisms Governing Methanol-to-Olefins Catalysis by Theory and Experiment.
- Published in:
- ChemPhysChem, 2013, v. 14, n. 8, p. 1526, doi. 10.1002/cphc.201201023
- By:
- Publication type:
- Article
Works by Hemelsoet, Karen
Results: 18
1
2
Validation of DFT-Based Methods for Predicting Qualitative Thermochemistry of Large Polyaromatics.
- Published in:
- ChemPhysChem, 2011, v. 12, n. 6, p. 1100, doi. 10.1002/cphc.201000788
- By:
- Publication type:
- Article
3
A DFT-Based Investigation of Hydrogen Abstraction Reactions from Methylated Polycyclic Aromatic Hydrocarbons.
- Published in:
- ChemPhysChem, 2008, v. 9, n. 16, p. 2349, doi. 10.1002/cphc.200800475
- By:
- Publication type:
- Article
4
The Effect of Confined Space on the Growth of Naphthalenic Species in a Chabazite-Type Catalyst: A Molecular Modeling Study.
- Published in:
- ChemCatChem, 2009, v. 1, n. 3, p. 373, doi. 10.1002/cctc.200900208
- By:
- Publication type:
- Article
5
Cover Picture: The Effect of Confined Space on the Growth of Naphthalenic Species in a Chabazite-Type Catalyst: A Molecular Modeling Study (ChemCatChem 3/2009).
- Published in:
- ChemCatChem, 2009, v. 1, n. 3, p. 329, doi. 10.1002/cctc.200990009
- By:
- Publication type:
- Article
6
Diphosphonylation of Aromatic Diazaheterocycles and Theoretical Rationalization of Product Yields.
- Published in:
- European Journal of Organic Chemistry, 2013, v. 2013, n. 34, p. 7833, doi. 10.1002/ejoc.201301546
- By:
- Publication type:
- Article
7
Diphosphonylation of Aromatic Diazaheterocycles and Theoretical Rationalization of Product Yields.
- Published in:
- European Journal of Organic Chemistry, 2013, v. 2013, n. 6, p. 1058, doi. 10.1002/ejoc.201201437
- By:
- Publication type:
- Article
8
Identification of Intermediates in Zeolite-Catalyzed Reactions by In Situ UV/Vis Microspectroscopy and a Complementary Set of Molecular Simulations.
- Published in:
- Chemistry - A European Journal, 2013, v. 19, n. 49, p. 16595, doi. 10.1002/chem.201301965
- By:
- Publication type:
- Article
9
Enthalpy and Entropy Barriers Explain the Effects of Topology on the Kinetics of Zeolite-Catalyzed Reactions.
- Published in:
- Chemistry - A European Journal, 2013, v. 19, n. 35, p. 11568, doi. 10.1002/chem.201301272
- By:
- Publication type:
- Article
10
Investigating the Halochromic Properties of Azo Dyes in an Aqueous Environment by Using a Combined Experimental and Theoretical Approach.
- Published in:
- Chemistry - A European Journal, 2012, v. 18, n. 26, p. 8120, doi. 10.1002/chem.201103633
- By:
- Publication type:
- Article
11
Competitive Reactions of Organophosphorus Radicals on Coke Surfaces.
- Published in:
- Chemistry - A European Journal, 2011, v. 17, n. 43, p. 12027, doi. 10.1002/chem.201100712
- By:
- Publication type:
- Article
12
Cover Picture: Competitive Reactions of Organophosphorus Radicals on Coke Surfaces (Chem. Eur. J. 43/2011).
- Published in:
- Chemistry - A European Journal, 2011, v. 17, n. 43, p. 11937, doi. 10.1002/chem.201190210
- By:
- Publication type:
- Article
13
Cover Picture: Theoretical Simulations Elucidate the Role of Naphthalenic Species during Methanol Conversion within H-SAPO-34 (Chem. Eur. J. 33/2011).
- Published in:
- Chemistry - A European Journal, 2011, v. 17, n. 33, p. 8997, doi. 10.1002/chem.201190164
- By:
- Publication type:
- Article
14
Theoretical Simulations Elucidate the Role of Naphthalenic Species during Methanol Conversion within H-SAPO-34.
- Published in:
- Chemistry - A European Journal, 2011, v. 17, n. 33, p. 9083, doi. 10.1002/chem.201100920
- By:
- Publication type:
- Article
15
Bimetallic-Organic Framework as a Zero-Leaching Catalyst in the Aerobic Oxidation of Cyclohexene.
- Published in:
- ChemCatChem, 2013, v. 5, n. 12, p. 3657, doi. 10.1002/cctc.201300529
- By:
- Publication type:
- Article
16
Mechanistic Studies on Chabazite-Type Methanol-to-Olefin Catalysts: Insights from Time-Resolved UV/Vis Microspectroscopy Combined with Theoretical Simulations.
- Published in:
- ChemCatChem, 2013, v. 5, n. 1, p. 173, doi. 10.1002/cctc.201200580
- By:
- Publication type:
- Article
17
Inside Back Cover: Mechanistic Studies on Chabazite-Type Methanol-to-Olefin Catalysts: Insights from Time-Resolved UV/Vis Microspectroscopy Combined with Theoretical Simulations (ChemCatChem 1/2013).
- Published in:
- ChemCatChem, 2013, v. 5, n. 1, p. 355, doi. 10.1002/cctc.201290053
- By:
- Publication type:
- Article
18
Vibrational fingerprint of the absorption properties of UiO-type MOF materials.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 4, p. 1, doi. 10.1007/s00214-016-1842-8
- By:
- Publication type:
- Article