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On the origin of the difference between type A and type B skeletal isomerization of alkenes catalyzed by zeolites: The crucial input of ab initio molecular dynamics
Competition of Secondary versus Tertiary Carbenium Routes for the Type B Isomerization of Alkenes over Acid Zeolites Quantified by Ab Initio Molecular Dynamics Simulations
Kinetic Assessment of the Simultaneous Hydrodesulfurization of Dibenzothiophene and the Hydrogenation of Diverse Polyaromatic Structures
Edgar M. Morales-Valencia, Carlos O. Castillo-Araiza, Sonia A. Giraldo and Víctor G. Baldovino-Medrano ACS Catalysis 8(5) 3926 (2018) https://doi.org/10.1021/acscatal.8b00629
Atmospheric hydrodeoxygenation of bio-oil oxygenated model compounds: A review
Hamed Pourzolfaghar, Faisal Abnisa, Wan Mohd Ashri Wan Daud and Mohamed Kheireddine Aroua Journal of Analytical and Applied Pyrolysis 133 117 (2018) https://doi.org/10.1016/j.jaap.2018.04.013
Experimental and Kinetic Production of Ethanol Using Mucilage Juice Residues from Cocoa Processing
Teresa Romero Cortes, Jaime A. Cuervo-Parra, Víctor José Robles-Olvera, Eduardo Rangel Cortes and Pablo A. López Pérez International Journal of Chemical Reactor Engineering 16(11) (2018) https://doi.org/10.1515/ijcre-2017-0262
Using Equation-Free Computation to Accelerate Network-Free Stochastic Simulation of Chemical Kinetics
Yen Ting Lin, Lily A. Chylek, Nathan W. Lemons and William S. Hlavacek The Journal of Physical Chemistry B 122(24) 6351 (2018) https://doi.org/10.1021/acs.jpcb.8b02960
28th European Symposium on Computer Aided Process Engineering
Ana R. Costa da Cruz, Jan Verstraete, Nadège Charon and Jean-François Joly Computer Aided Chemical Engineering, 28th European Symposium on Computer Aided Process Engineering 43 1559 (2018) https://doi.org/10.1016/B978-0-444-64235-6.50272-2
Multicomponent and multi-dimensional modeling and simulation of adsorption-based carbon dioxide separation