Computer-aided molecular design of solvents for accelerated reaction kinetics

Single solvent molecules can affect the dynamics of substitution reactions

(2012) R. Otto et al.   Nature Chemistry

Key Green Engineering Research Areas for Sustainable Manufacturing: A Perspective from Pharmaceutical and Fine Chemicals Manufacturers

(2011) Concepción Jiménez-González et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

Exploring Solvent Effects upon the Menshutkin Reaction Using a Polarizable Force Field

(2010) Orlando Acevedo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Impact of Solvent Polarity on N-Heterocyclic Carbene-Catalyzed β-Protonations of Homoenolate Equivalents

(2009) Brooks E. Maki et al.   ORGANIC LETTERS

Solvents in organic synthesis: Replacement and multi-step reaction systems

(2008) Rafiqul Gani et al.   COMPUTERS & CHEMICAL ENGINEERING

Computer-Aided Solvent Design for Reactions: Maximizing Product Formation

(2008) Milica Folić et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

VBSM: A Solvation Model Based on Valence Bond Theory†

(2008) Peifeng Su et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A rationalization of the solvent effect on the Diels–Alder reaction in ionic liquids using multiparameter linear solvation energy relationships

(2008) Riccardo Bini et al.   ORGANIC & BIOMOLECULAR CHEMISTRY