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Issue DateTitleAuthor(s)
13-Dec-2016Development of Predictive Models of the Kinetics of a Hydrogen Abstraction Reaction Combining Quantum-Mechanical Calculations and Experimental DataDiamanti, A; Adjiman, CS; Piccione, PM; Rea, AM; Galindo, A, et al
29-Sep-2016A QM-CAMD approach to solvent design for optimal reaction ratesStruebing, H; Obermeier, S; Siougkrou, E; Adjiman, CSJ; Galindo, A, et al
15-Apr-2016On the use of molecular-based thermodynamic models to assess the performance of solvents for CO₂ capture processes: monoethanolamine solutionsBrand, CV; Graham, E; Rodriguez, J; Galindo, A; Jackson, G, et al
25-Oct-2016Development of intermolecular potential models for electrolyte solutions using an electrolyte SAFT-VR Mie equation of stateEriksen, DK; Lazarou, G; Galindo, A; Jackson, G; Adjiman, CS, et al
10-Aug-2016Computer-aided molecular design and selection of CO2 capture solvents based on thermodynamics, reactivity and sustainabilityPapadopoulos, AI; Badr, S; Chremos, A; Forte, E; Zarogiannis, T, et al
25-Jun-2016A feasibility-based algorithm for Computer Aided Molecular and Process Design of solvent-based separation systemsGopinath, S; Galindo, A; Jackson, G; Adjiman, CS; , et al
4-Aug-2016Outer approximation algorithm with physical domain reduction for computer-aided molecular and separation process designGopinath, S; Jackson, G; Galindo, A; Adjiman, CS; , et al