Ellen V. Dalessandro
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View article: Solvent selection for chemical reactions: automated computational screening of solvents using the SMD model
Solvent selection for chemical reactions: automated computational screening of solvents using the SMD model Open
Finding the most efficient solvent for a chemical reaction can demand costly experimental procedure and the screening is usually limited to few solvents. The use of theoretical methods could accelerate the search for the best solvent, able…
View article: Fast Screening of Solvents for Simultaneous Extraction of Furfural, 5-Hydroxymethylfurfural and Levulinic Acid from Aqueous Solution Using SMD Solvation Free Energies
Fast Screening of Solvents for Simultaneous Extraction of Furfural, 5-Hydroxymethylfurfural and Levulinic Acid from Aqueous Solution Using SMD Solvation Free Energies Open
Acid catalyzed decomposition of C5 and C6 sugars has been considered an important source of biomass derived chemicals. An essential step in this process is the extraction of furfural, hydroxymethylfurfural and levulinic acid from aqueous p…
View article: SOLVENT SELECTION FOR CHEMICAL REACTIONS: AUTOMATED COMPUTATIONAL SCREENING OF SOLVENTS USING THE SMD MODEL
SOLVENT SELECTION FOR CHEMICAL REACTIONS: AUTOMATED COMPUTATIONAL SCREENING OF SOLVENTS USING THE SMD MODEL Open
Finding the most efficient solvent for a chemical reaction can demand costly experimental procedure and the screening is usually limited to few solvents. The use of theoretical methods could accelerate the search for the best solvent, able…
View article: Fast Screening of Solvents for Simultaneous Extraction of Furfural, 5-Hydroxymethylfurfural and Levulinic Acid from Aqueous Solution Using SMD Solvation Free Energies
Fast Screening of Solvents for Simultaneous Extraction of Furfural, 5-Hydroxymethylfurfural and Levulinic Acid from Aqueous Solution Using SMD Solvation Free Energies Open
Acid catalyzed decomposition of C 5 and C 6 sugars has been considered an important source of biomass derived chemicals.An essential step in this process is the extraction of furfural, hydroxymethylfurfural and levulinic acid from aqueous …
View article: Investigação Teórica de Adições Aldólicas de Monocarbonilas e -Dicarbonilas Catalisadas
Investigação Teórica de Adições Aldólicas de Monocarbonilas e -Dicarbonilas Catalisadas Open