Mechanism for the reactions of sulfides and sulfoxides with hypochlorites: racemization and oxygen exchange of oxysulfonium salts and sulfoxides

Transition states for cysteine redox processes modeled by DFT and solvent-assisted proton exchange

(2011) Craig A. Bayse   ORGANIC & BIOMOLECULAR CHEMISTRY

Concerted SN2 mechanism for the hydrolysis of acid chlorides: comparisons of reactivities calculated by the density functional theory with experimental data

(2010) Ferenc Ruff et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

Stereomutation of Pentavalent Compounds: Validating the Berry Pseudorotation, Redressing Ugi’s Turnstile Rotation, and Revealing the Two- and Three-Arm Turnstiles

(2010) Erik P. A. Couzijn et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Advances in Quantum and Molecular Mechanical (QM/MM) Simulations for Organic and Enzymatic Reactions

(2009) Orlando Acevedo et al.   ACCOUNTS OF CHEMICAL RESEARCH

Mechanism for the Oxidation of Sulfides and Sulfoxides with Periodates: Reactivity of the Oxidizing Species

(2009) Ferenc Ruff et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

A Clean, Mild, and Selective Oxidation of Sulfides to Sulfoxides Using NaClO/H2SO4in Aqueous Media

(2009) Ali Amoozadeh et al.   PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS

Mechanism of nucleophilic substitutions at phenacyl bromides with pyridines. A computational study of intermediate and transition state

(2008) Attila Fábián et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY

A DFT study of transition structures and reactivity in solvolyses oftert-butyl chloride, cumyl chlorides, and benzyl chlorides

(2007) Ferenc Ruff et al.   JOURNAL OF PHYSICAL ORGANIC CHEMISTRY