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  1. Vincent Sahayaraj, Daniel ; A, Lusi ; et al.
    In: Energy & environmental science, Jg. 16 (2023), Heft 1, S. 97-112
    serialPeriodical
  2. Vincent Sahayaraj, Daniel ; A, Lusi ; et al.
    In: Energy & environmental science, Jg. 16 (2023), Heft 1, S. 97-112
    serialPeriodical
  3. de Souza Garrido, Guilherme ; Ribeiro Francisco, Lucas ; et al.
    In: Journal of catalysis, Jg. 425 (2023), S. 155-169
    serialPeriodical
  4. Escobar, José ; Barrera, María C. ; et al.
    In: Canadian journal of chemical engineering, Jg. 101 (2023), Heft 10, S. 5772-5784
    Online serialPeriodical
  5. Xu, Hao ; Li, Hao
    In: Journal of catalysis, Jg. 423 (2023), S. 105-117
    serialPeriodical
  6. Wang, Qinyi ; Yu, Yang ; et al.
    In: Neurocomputing, Jg. 521 (2023), S. 79-88
    serialPeriodical
  7. Allegretti, Chiara ; D'Arrigo, Paola ; et al.
    In: RSC advances, Jg. 13 (2023), Heft 5, S. 3004-3007
    Online serialPeriodical
  8. Wu, Peng ; Shan, Changgong ; et al.
    In: Proceedings of SPIE, the International Society for Optical Engineering, Jg. 12706 (2023), S. 1270605
    Konferenz
  9. Kunamalla, Alekhya ; Shrirame, Bhushan S. ; et al.
    In: Energy advances, Jg. 1 (2022), Heft 2, S. 99-112
    serialPeriodical
  10. Wang, Jiequan ; Chen, Xiao ; et al.
    In: Sustainable energy & fuels, Jg. 6 (2022), Heft 12, S. 3025-3034
    serialPeriodical
  11. Kumar, Loveneesh ; Verma, Nishant ; et al.
    In: New journal of chemistry, Jg. 46 (2022), Heft 7, S. 3472-3481
    serialPeriodical
  12. Wang, Shuai ; Liu, Yanxiu ; et al.
    In: Sustainable energy & fuels, Jg. 6 (2022), Heft 18, S. 4183-4196
    serialPeriodical
  13. McBride, Molly J. ; Nair, Mrutyunjay A. ; et al.
    In: Biochemistry, Jg. 61 (2022), Heft 8, S. 689-702
    serialPeriodical
  14. Surface structure sensitivity of hydrodeoxygenation of biomass-derived organic acids over palladium catalysts: a microkinetic modeling approachElectronic supplementary information (ESI) available: Effects of solvents, i.e., water and 1, 4-dioxane, on reaction free energies and activation energies in eV of all the elementary reaction steps in the HDO of propanoic acid over Pd(100) and Pd(111) at a temperature of 473 K, a propionic acid gas phase partial pressure of 1 bar, a CO gas phase partial pressure of 1 × 10−5 bar, and a hydrogen partial pressure of 0.01 bar using ±10% of the default COSMO palladium cavity radius (Table S1), CO and H lateral interaction coefficients, aCO and aH, of surface intermediates on Pd(100) and Pd(111) at a temperature of 473 K (Table S2), TOFs (s−1) of various elementary steps on Pd(100) and Pd(111) in water with +10% increased palladium COSMO cavity radius at a temperature of 473 K, a propionic acid gas phase partial pressure of 1 bar, a CO gas phase partial pressure of 1 × 10−5 bar, and a hydrogen partial pressure of 0.01 bar (Fig. S1), TOFs (s−1) of various elementary steps on Pd(100) and Pd(111) in water with −10% decreased palladium COSMO cavity radius at a temperature of 473 K, a propionic acid gas phase partial pressure of 1 bar, a CO gas phase partial pressure of 1 × 10−5 bar, and a hydrogen partial pressure of 0.01 bar (Fig, S2), TOFs (s−1) of various elementary steps on Pd(100) and Pd(111) in 1, 4-dioxane with +10% increased palladium COSMO cavity radius at a temperature of 473 K, a propionic acid gas phase partial pressure of 1 bar, a CO gas phase partial pressure of 1 × 10−5 bar and a hydrogen partial pressure of 0.01 bar (Fig. S3), TOFs (s−1) of various elementary steps in 1, 4-dioxane with −10% decreased palladium COSMO cavity radius at a temperature of 473 K, a propionic acid gas phase partial pressure of 1 bar, a CO gas phase partial pressure of 1 × 10−5 bar, and a hydrogen partial pressure of 0.01 bar (Fig. S4) and different shapes of cluster sizes cut from Pd(100) surface, which are used in solvation calculations for HDO of propanoic acid on Pd(100), plot of CO adsorption energy on Pd(100) surface in liquid water vs. number of metal atoms in the respective cluster, 30 × 21 cluster model (consists of 51 Pd atoms) cut from Pd(111) surface used in solvation calculations for HDO of propanoic acid on Pd(111) (Fig. S5). See DOI: 10.1039/d1cy01029h
    Kundu, Subrata Kumar ; Vijay Solomon, Rajadurai ; et al.
    In: Catalysis science & technology, Jg. 11 (2021), Heft 18, S. 6163-6181
    Online serialPeriodical
  15. Jin, Wei ; Gandara-Loe, Jesus ; et al.
    In: Renewable energy, Jg. 215 (2023)
    serialPeriodical
  16. Blanco, Elodie ; Cabeza, Paula ; et al.
    In: Catalysis today, Jg. 420 (2023)
    serialPeriodical
  17. Mahieux, A. ; Robert, S. ; et al.
    In: Icarus -New York, Jg. 405 (2023)
    serialPeriodical
  18. Naranov, Evgeny ; Sadovnikov, Alexey ; et al.
    In: Applied catalysis.B.Environmental, Jg. 334 (2023)
    serialPeriodical
  19. Blanco, Elodie ; Cabeza, Paula ; et al.
    In: Catalysis today, Jg. 420 (2023)
    serialPeriodical
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