18 results on '"Herschend, Björn"'
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2. Correction to: Thermodynamic Study of the Chlorine Content of Stainless Steel
3. CO adsorption on CeO2(1 1 0) using hybrid-DFT embedded-cluster calculations
4. Electronic structure of the CeO 2(1 1 0) surface oxygen vacancy
5. Application of the method of increments to the adsorption of CO on the CeO2(110) surface.
6. Oxygen vacancy formation for transient structures on the CeO2(110) surface at 300 and 750 K.
7. A combined molecular dynamics+quantum mechanics method for investigation of dynamic effects on local surface structures.
8. A pragmatic procedure for predicting regioselectivity in nucleophilic substitution of aromatic fluorides
9. Combined Molecular Dynamics and Embedded-Cluster Calculations in Metal Oxide Surface Chemistry
10. Predicting Regioselectivity in Nucleophilic Aromatic Substitution.
11. Design of an IntegratedProcess of Chromatography,Crystallization and Racemization for the Resolution of 2′,6′-Pipecoloxylidide(PPX).
12. Separation of Racemic Bicalutamide by an Optimized Combination of Continuous Chromatography and Selective Crystallization.
13. Validation of a Computational Model for Predicting the Site for Electrophilic Substitution in Aromatic Systems.
14. CO adsorption on CeO2(110) using hybrid-DFT embedded-cluster calculations
15. Electronic structure of the CeO2(110) surface oxygen vacancy
16. Application of the method of increments to the adsorption of CO on the CeO2(110) surface.
17. Oxygen vacancy formation for transient structures on the CeO2(110) surface at 300 and 750 K.
18. Influence of substrate dynamics on CO-MgO(001) bonding--using molecular dynamics snapshots in quantum-chemical calculations.
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