Univariate classification of phosphine ligation state and reactivity in cross-coupling catalysis

Computational Ligand Descriptors for Catalyst Design

(2019) Derek J. Durand et al.   CHEMICAL REVIEWS

Towards the online computer-aided design of catalytic pockets

(2019) Laura Falivene et al.   Nature Chemistry

Elucidating the Role of the Boronic Esters in the Suzuki–Miyaura Reaction: Structural, Kinetic, and Computational Investigations

(2018) Andy A. Thomas et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Predictive and mechanistic multivariate linear regression models for reaction development

(2018) Celine B. Santiago et al.   Chemical Science

Taming Nickel-Catalyzed Suzuki-Miyaura Coupling: A Mechanistic Focus on Boron-to-Nickel Transmetalation

(2018) Pierre-Adrien Payard et al.   ACS Catalysis

Bisphosphines: A Prominent Ancillary Ligand Class for Application in Nickel-Catalyzed C–N Cross-Coupling

(2018) Christopher M. Lavoie et al.   ACS Catalysis

Advances in Base-Metal Catalysis: Development of a Screening Platform for Nickel-Catalyzed Borylations of Aryl (Pseudo)halides with B2(OH)4

(2018) John R. Coombs et al.   ORGANOMETALLICS

Enantiodivergent Pd-catalyzed C–C bond formation enabled through ligand parameterization

(2018) Shibin Zhao et al.   SCIENCE

Nickel-Catalyzed Three-Component Coupling Reaction of Tetrafluoroethylene and Aldehydes with Silanes via Oxa-Nickelacycles

(2018) Hiroshi Shirataki et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Palladium-Catalyzed Cross-Coupling of Silyl Electrophiles with Alkylzinc Halides: A Silyl-Negishi Reaction

(2017) Andrew P. Cinderella et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Parameterization of Acyclic Diaminocarbene Ligands Applied to a Gold(I)-Catalyzed Enantioselective Tandem Rearrangement/Cyclization

(2017) Zachary L. Niemeyer et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Pd-Catalyzed Conjunctive Cross-Coupling between Grignard-Derived Boron “Ate” Complexes and C(sp2) Halides or Triflates: NaOTf as a Grignard Activator and Halide Scavenger

(2017) Gabriel J. Lovinger et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Preparation of Quaternary Centers via Nickel-Catalyzed Suzuki–Miyaura Cross-Coupling of Tertiary Sulfones

(2017) Zachary T. Ariki et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Parameterization of phosphine ligands demonstrates enhancement of nickel catalysis via remote steric effects

(2017) Kevin Wu et al.   Nature Chemistry

Transition-Metal-Free Cross-Coupling of Aryl and Heteroaryl Thiols with Arylzinc Reagents

(2017) Bo Yang et al.   ORGANIC LETTERS

Well-defined nickel and palladium precatalysts for cross-coupling

(2017) Nilay Hazari et al.   Nature Reviews Chemistry

Organic Photoredox Catalysis

(2016) Nathan A. Romero et al.   CHEMICAL REVIEWS

Steric and Electronic Influences of Buchwald-Type Alkyl-JohnPhos Ligands

(2016) Alexander J. Kendall et al.   INORGANIC CHEMISTRY

Stereospecific Cross Couplings To Set Benzylic, All-Carbon Quaternary Stereocenters in High Enantiopurity

(2016) Qi Zhou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Parameterization of phosphine ligands reveals mechanistic pathways and predicts reaction outcomes

(2016) Zachary L. Niemeyer et al.   Nature Chemistry

SambVca 2. A Web Tool for Analyzing Catalytic Pockets with Topographic Steric Maps

(2016) Laura Falivene et al.   ORGANOMETALLICS

Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C–C Cross-Coupling

(2015) Jared L. Kneebone et al.   INORGANIC CHEMISTRY

Analysis of Past and Present Synthetic Methodologies on Medicinal Chemistry: Where Have All the New Reactions Gone?

(2015) Dean G. Brown et al.   JOURNAL OF MEDICINAL CHEMISTRY

Recent advances in homogeneous nickel catalysis

(2014) Sarah Z. Tasker et al.   NATURE

Direct Conversion of Phosphonates to Phosphine Oxides: An Improved Synthetic Route to Phosphines Including the First Synthesis of Methyl JohnPhos

(2014) Alexander J. Kendall et al.   ORGANOMETALLICS

A Broadly Applicable Strategy for Entry into Homogeneous Nickel(0) Catalysts from Air-Stable Nickel(II) Complexes

(2014) Eric A. Standley et al.   ORGANOMETALLICS

Pd- and Ni-catalyzed cross-coupling reactions in the synthesis of organic electronic materials

(2014) Shiqing Xu et al.   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

An Active, General, and Long-Lived Palladium Catalyst for Cross-Couplings of Deactivated (Hetero)aryl Chlorides and Bromides with Arylboronic Acids

(2013) Takashi Hoshi et al.   JOURNAL OF ORGANIC CHEMISTRY

Capturing a Ghost. Synthesis and Structural Characterization of Pd(dba)[P(o-Tol)3]2

(2013) Brennen A. Harding et al.   ORGANOMETALLICS

Palladium-Catalyzed Cross-Coupling: A Historical Contextual Perspective to the 2010 Nobel Prize

(2012) Carin C. C. Johansson Seechurn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cross-Coupling of Aryltrimethylammonium Iodides with Arylzinc Reagents Catalyzed by Amido Pincer Nickel Complexes

(2012) Xue-Qi Zhang et al.   JOURNAL OF ORGANIC CHEMISTRY

Palladium-Catalyzed C(sp3)–H Arylation of Diarylmethanes at Room Temperature: Synthesis of Triarylmethanes via Deprotonative-Cross-Coupling Processes

(2012) Jiadi Zhang 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

Pd2(dba)3 as a Precursor of Soluble Metal Complexes and Nanoparticles: Determination of Palladium Active Species for Catalysis and Synthesis

(2012) Sergey S. Zalesskiy et al.   ORGANOMETALLICS

Nickel-Catalyzed Cross-Coupling of Styrenyl Epoxides with Boronic Acids

(2011) Daniel K. Nielsen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

NCIPLOT: A Program for Plotting Noncovalent Interaction Regions

(2011) Julia Contreras-García et al.   Journal of Chemical Theory and Computation

Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation

(2011) Raphael F. Ribeiro et al.   JOURNAL OF PHYSICAL CHEMISTRY B

M11-L: A Local Density Functional That Provides Improved Accuracy for Electronic Structure Calculations in Chemistry and Physics

(2011) Roberto Peverati et al.   Journal of Physical Chemistry Letters

The CH/π hydrogen bond in chemistry. Conformation, supramolecules, optical resolution and interactions involving carbohydrates

(2011) Motohiro Nishio   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Percent buried volume for phosphine and N-heterocyclic carbene ligands: steric properties in organometallic chemistry

(2010) Hervé Clavier et al.   CHEMICAL COMMUNICATIONS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Ligand-Controlled Regioselectivity in Palladium-Catalyzed Cross Coupling Reactions

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

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An efficient organocatalytic method for constructing biaryls through aromatic C–H activation

(2010) Chang-Liang Sun et al.   Nature Chemistry

Nickel(0)-Catalyzed Formation of Oxaaluminacyclopentenes via an Oxanickelacyclopentene Key Intermediate: Me2AlOTf-Assisted Oxidative Cyclization of an Aldehyde and an Alkyne with Nickel(0)

(2010) Masato Ohashi et al.   ORGANOMETALLICS

SambVca: A Web Application for the Calculation of the Buried Volume of N-Heterocyclic Carbene Ligands

(2009) Albert Poater et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

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

Effect of Ligand Steric Properties and Halide Identity on the Mechanism for Oxidative Addition of Haloarenes to Trialkylphosphine Pd(0) Complexes

(2009) Fabiola Barrios-Landeros et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Palladium-Catalyzed Suzuki−Miyaura Cross-Coupling Reactions Employing Dialkylbiaryl Phosphine Ligands

(2008) Ruben Martin et al.   ACCOUNTS OF CHEMICAL RESEARCH

The Development of Versatile Methods for Palladium-Catalyzed Coupling Reactions of Aryl Electrophiles through the Use of P(t-Bu)3and PCy3as Ligands

(2008) Gregory C. Fu   ACCOUNTS OF CHEMICAL RESEARCH

Room-Temperature Kumada Cross-Coupling of Unactivated Aryl Chlorides Catalyzed byN-Heterocylic Carbene-Based Nickel(II) Complexes

(2008) Zhenxing Xi et al.   JOURNAL OF ORGANIC CHEMISTRY