Theoretical study on homolytic B–B cleavages of diboron(4) compounds

Computational study on C–B homolytic bond dissociation enthalpies of organoboron compounds

(2017) JiaoYang Wang et al.   NEW JOURNAL OF CHEMISTRY

Diboron(4) Compounds: From Structural Curiosity to Synthetic Workhorse

(2016) Emily C. Neeve et al.   CHEMICAL REVIEWS

Ligand-Controlled Regiodivergent Copper-Catalyzed Alkylboration of Alkenes

(2015) Wei Su et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Domino Heck/borylation sequence towards indolinone-3-methyl boronic esters: trapping of the σ-alkylpalladium intermediate with boron

(2015) Dipak D. Vachhani et al.   CHEMICAL COMMUNICATIONS

Synthesis, Structure, and Reactivity of Anionic sp2-sp3Diboron Compounds: Readily Accessible Boryl Nucleophiles

(2015) Sabrina Pietsch et al.   CHEMISTRY-A EUROPEAN JOURNAL

A comparison of the C‒H bond dissociation enthalpies of sulfur-containing fused heterocyclic compounds to the C‒H bond dissociation enthalpies in other heterocycles

(2015) Ying-Xing Wang et al.   Journal of Sulfur Chemistry

Theoretical study on homolytic C(sp2)–O cleavage in ethers and phenols

(2015) Lanlan Ding et al.   NEW JOURNAL OF CHEMISTRY

Silicon-Tethered Strategy for Copper(I)-Catalyzed Stereo- and Regioselective Alkylboration of Alkynes

(2015) Koji Kubota et al.   ORGANIC LETTERS

Organocatalytic functionalisation through boron chemistry

(2015) Gerard Palau-Lluch et al.   PURE AND APPLIED CHEMISTRY

Copper-Catalyzed Cross-Coupling of Boronic Esters with Aryl Iodides and Application to the Carboboration of Alkynes and Allenes

(2014) Yiqing Zhou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Copper-Catalyzed Diastereo- and Enantioselective Desymmetrization of Cyclopropenes: Synthesis of Cyclopropylboronates

(2014) Alejandro Parra et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Redox potentials of trifluoromethyl-containing compounds

(2014) Yuanye Jiang et al.   Science China-Chemistry

Advances in the Ring Opening of Small-Ring Heterocycles with Organoboron Derivatives

(2014) Mauro Pineschi   SYNLETT

Recent developments in alkyne borylations

(2014) Renaud Barbeyron et al.   TETRAHEDRON

Selection of boron reagents for Suzuki–Miyaura coupling

(2013) Alastair J. J. Lennox et al.   CHEMICAL SOCIETY REVIEWS

Metal-free borylative ring-opening of vinyl epoxides and aziridines

(2013) Xavier Sanz et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

The theoretical assessment and prediction of CBr bond dissociation enthalpies

(2013) Wenrui Zheng et al.   Computational and Theoretical Chemistry

Copper-Catalyzed Highly Regio- and Stereoselective Directed Hydroboration of Unsymmetrical Internal Alkynes: Controlling Regioselectivity by Choice of Catalytic Species

(2012) Kazuhiko Semba et al.   CHEMISTRY-A EUROPEAN JOURNAL

Exchange–Correlation Functional with Good Accuracy for Both Structural and Energetic Properties while Depending Only on the Density and Its Gradient

(2012) Roberto Peverati et al.   Journal of Chemical Theory and Computation

Synthesis of Pinacol Arylboronates from Aromatic Amines: A Metal-Free Transformation

(2012) Di Qiu et al.   JOURNAL OF ORGANIC CHEMISTRY

A Systematic Approach to Identify Cooperatively Bound Homotrimers

(2012) Jack Yang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Catalytic Boracarboxylation of Alkynes with Diborane and Carbon Dioxide by an N-Heterocyclic Carbene Copper Catalyst

(2012) Liang Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Asymmetric organocatalytic diboration of alkenes

(2012) Amadeu Bonet et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

An improved and broadly accurate local approximation to the exchange–correlation density functional: The MN12-L functional for electronic structure calculations in chemistry and physics

(2012) Roberto Peverati et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Screened-exchange density functionals with broad accuracy for chemistry and solid-state physics

(2012) Roberto Peverati et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

S=O homolytic bond dissociation enthalpies in sulfoxides

(2012) Wen Rui Zheng et al.   RESEARCH ON CHEMICAL INTERMEDIATES

Catalytic, Direct Synthesis of Bis(boronate) Compounds

(2012) Jun Takaya et al.   ACS Catalysis

Transition-Metal-Free Diboration Reaction by Activation of Diboron Compounds with Simple Lewis Bases

(2011) Amadeu Bonet et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Alkylboronic Esters from Copper-Catalyzed Borylation of Primary and Secondary Alkyl Halides and Pseudohalides

(2011) Chu-Ting Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalytic asymmetric conjugate boration of α,β-unsaturated sulfones

(2011) Abraham L. Moure et al.   CHEMICAL COMMUNICATIONS

Activation of Diboron Reagents with Brønsted Bases and Alcohols: An Experimental and Theoretical Perspective of the Organocatalytic Boron Conjugate Addition Reaction

(2011) Cristina Pubill-Ulldemolins  et al.   CHEMISTRY-A EUROPEAN JOURNAL

Communication: A global hybrid generalized gradient approximation to the exchange-correlation functional that satisfies the second-order density-gradient constraint and has broad applicability in chemistry

(2011) Roberto Peverati et al.   JOURNAL OF CHEMICAL PHYSICS

Generalized Gradient Approximation That Recovers the Second-Order Density-Gradient Expansion with Optimized Across-the-Board Performance

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

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

Improving the Accuracy of Hybrid Meta-GGA Density Functionals by Range Separation

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

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

A Theoretical Study on C−COOH Homolytic Bond Dissociation Enthalpies

(2010) Jing Shi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Enantioselective Synthesis oftrans-Aryl- and -Heteroaryl-Substituted Cyclopropylboronates by Copper(I)-Catalyzed Reactions of Allylic Phosphates with a Diboron Derivative

(2010) Chongmin Zhong et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

N-Terminal peptidic boronic acids selectively inhibit human ClpXP

(2010) Kenneth Knott et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

C−H Activation for the Construction of C−B Bonds

(2009) Ibraheem A. I. Mkhalid et al.   CHEMICAL REVIEWS

Molecules with All Triple Bonds: OCBBCO, N2BBN2, and [OBBBBO]2−†

(2009) Lucas C. Ducati et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nickel-Catalyzed Borylative Ring Opening of Vinyl Epoxides and Aziridines

(2009) Stefano Crotti et al.   ORGANIC LETTERS

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Systematic optimization of long-range corrected hybrid density functionals

(2008) Jeng-Da Chai et al.   JOURNAL OF CHEMICAL PHYSICS

An Ab Initio Quantum Chemical Investigation of43Ca NMR Interaction Parameters for the Ca2+Sites in Organic Complexes and in Metalloproteins

(2008) Alan Wong et al.   JOURNAL OF PHYSICAL CHEMISTRY A

DFT Studies on the Mechanism of the Diboration of Aldehydes Catalyzed by Copper(I) Boryl Complexes

(2008) Haitao Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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