Rearrangement of vinyl allene oxide geometric isomers to cyclopentenones. Further computational insights with biologically relevant model systems

Investigation into 9(S)-HPODE-derived allene oxide to cyclopentenone cyclization mechanism via diradical oxyallyl intermediates

(2016) Sebastien P. Hebert et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Accounting for Diradical Character through DFT. The Case of Vinyl Allene Oxide Rearrangement

(2015) Roberto Villar López et al.   JOURNAL OF ORGANIC CHEMISTRY

Mechanism of the Intramolecular Hexadehydro-Diels–Alder Reaction

(2015) Daniel J. Marell et al.   JOURNAL OF ORGANIC CHEMISTRY

A unifying mechanism for the rearrangement of vinyl allene oxide geometric isomers to cyclopentenones

(2014) Adán B. González-Pérez et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Isolation and Characterization of Two Geometric Allene Oxide Isomers Synthesized from 9S-Hydroperoxylinoleic Acid by Cytochrome P450 CYP74C3

(2013) Alan R. Brash et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Crystal Structures of Physcomitrella patens AOC1 and AOC2: Insights into the Enzyme Mechanism and Differences in Substrate Specificity

(2012) P. Neumann et al.   PLANT PHYSIOLOGY

Oxyallyl Exposed: An Open-Shell Singlet with Picosecond Lifetimes in Solution but Persistent in Crystals of a Cyclobutanedione Precursor

(2011) Gregory Kuzmanich et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the Stereochemical Course of Palladium-Catalyzed Cross-Coupling of Allylic Silanolate Salts with Aromatic Bromides

(2010) Scott E. Denmark et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Lowest Singlet and Triplet States of the Oxyallyl Diradical

(2009) Takatoshi Ichino et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Tomato CYP74C3 is a Multifunctional Enzyme not only Synthesizing Allene Oxide but also Catalyzing its Hydrolysis and Cyclization

(2008) Alexander N. Grechkin et al.   CHEMBIOCHEM

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular mechanism of enzymatic allene oxide cyclization in plants

(2008) Eckhard Hofmann et al.   PLANT PHYSIOLOGY AND BIOCHEMISTRY