Parameterization of phosphine ligands reveals mechanistic pathways and predicts reaction outcomes

Alkenyl Carbonyl Derivatives in Enantioselective Redox Relay Heck Reactions: Accessing α,β-Unsaturated Systems

(2015) Chun Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Quantitatively Analyzing Metathesis Catalyst Activity and Structural Features in Silica-Supported Tungsten Imido–Alkylidene Complexes

(2015) Victor Mougel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A data-intensive approach to mechanistic elucidation applied to chiral anion catalysis

(2015) A. Milo et al.   SCIENCE

Computed ligand effects on the oxidative addition of phenyl halides to phosphine supported palladium(0) catalysts

(2014) Claire L. McMullin et al.   DALTON TRANSACTIONS

Steric and Electronic Control of the Spin State in Three-Fold Symmetric, Four-Coordinate Iron(II) Complexes

(2014) Hsiu-Jung Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Analyzing Site Selectivity in Rh2(esp)2-Catalyzed Intermolecular C–H Amination Reactions

(2014) Elizabeth N. Bess et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Interrogating selectivity in catalysis using molecular vibrations

(2014) Anat Milo et al.   NATURE

Dispersion Makes the Difference: Bisligated Transition States Found for the Oxidative Addition of Pd(PtBu3)2 to Ar-OSO2R and Dispersion-Controlled Chemoselectivity in Reactions with Pd[P(iPr)(tBu2)]2

(2014) Eirik Lyngvi et al.   ORGANOMETALLICS

Designer substrate library for quantitative, predictive modeling of reaction performance

(2014) E. N. Bess et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Oxidative Addition to Palladium(0) Diphosphine Complexes: Observations of Mechanistic Complexity with Iodobenzene as Reactant

(2013) Almira Kurbangalieva  et al.   CHEMISTRY-A EUROPEAN JOURNAL

Prediction of Catalyst and Substrate Performance in the Enantioselective Propargylation of Aliphatic Ketones by a Multidimensional Model of Steric Effects

(2013) Kaid C. Harper et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multidimensional steric parameters in the analysis of asymmetric catalytic reactions

(2012) Kaid C. Harper et al.   Nature Chemistry

Synthesis, Electrochemistry, Spectroelectrochemistry, and Solid-State Structures of Palladium Biferrocenylphosphines and Their Use in C,C Cross-Coupling Reactions

(2012) Manja Lohan et al.   ORGANOMETALLICS

What Makes for a Bad Catalytic Cycle? A Theoretical Study on the Suzuki−Miyaura Reaction within the Energetic Span Model

(2011) Sebastian Kozuch et al.   ACS Catalysis

Accurate modelling of Pd(0) + PhX oxidative addition kinetics

(2010) Claire L. McMullin et al.   DALTON TRANSACTIONS

Ligand-Controlled Regioselectivity in Palladium-Catalyzed Cross Coupling Reactions

(2010) Franziska Schoenebeck et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Expansion of the Ligand Knowledge Base for Monodentate P-Donor Ligands (LKB-P)†

(2010) Jesús Jover et al.   ORGANOMETALLICS

Dialkylbiaryl phosphines in Pd-catalyzed amination: a user's guide

(2010) David S. Surry et al.   Chemical Science