Is the polarization of the CC bond imperative for bifunctional outer-sphere CC hydrogenation?

Contribution of DFT to the optimization of Ni-based catalysts for dry reforming of methane: a review

(2022) Oualid Alioui et al.   CATALYSIS REVIEWS-SCIENCE AND ENGINEERING

Acceleration Effect of Bases on Mn Pincer Complex-Catalyzed CO2 Hydroboration

(2022) Zixing Jia et al.   INORGANIC CHEMISTRY

Cobalt-Catalyzed Hydrogenation Reactions Enabled by Ligand-Based Storage of Dihydrogen

(2022) Sophie W. Anferov et al.   ACS Catalysis

Heteroatom (N, P, As, Sb, Bi) Effects on the Resonance-Stabilized 2-, 3-, and 4-Picolyl Radicals

(2021) Xuewen Zhang et al.   INORGANIC CHEMISTRY

Electron‐Deficient Heteroacenes that Contain Two Boron Atoms: Near‐Infrared Fluorescence Based on a Push–Pull Effect**

(2021) Masato Ito et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Theoretical Design of a Catalyst with Both High Activity and Selectivity in C–H Borylation

(2021) Chong Liu et al.   JOURNAL OF ORGANIC CHEMISTRY

Reduction of Dinitrogen via 2,3′-Bipyridine-Mediated Tetraboration

(2020) Longfei Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Hexene hydrogenation catalysed by the complex monohydrid complexes: A DFT study of associated vs dissociated pathways

(2020) Sofiene Achour et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Hydrogenation of alkenes catalyzed by a non‐pincer Mn complex

(2020) S.M. Wahidur Rahaman et al.   ChemCatChem

CNC-pincer iron complexes containing a bis(N-heterocyclic carbene)Amido ligand: Synthesis and application to catalytic hydrogenation of alkenes

(2020) Wakano Taniguchi et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Enantioselective Hydrogenation of Ketones using Different Metal Complexes with a Chiral PNP Pincer Ligand

(2019) Marcel Garbe et al.   ADVANCED SYNTHESIS & CATALYSIS

Efficient optimization of natural resonance theory weightings and bond orders by gram‐based convex programming

(2019) Eric D. Glendening et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Unusual η1‐Coordinated Alkyne and Alkene Complexes

(2019) Longfei Li et al.   CHEMISTRY-A EUROPEAN JOURNAL

Rethinking Basic Concepts—Hydrogenation of Alkenes Catalyzed by Bench-Stable Alkyl Mn(I) Complexes

(2019) Stefan Weber et al.   ACS Catalysis

Zeise, Liebig, Jensen, Hückel, Dewar, and the Olefin π-Complex bonds

(2019) Curt Wentrup   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Catalytic (de)hydrogenation promoted by non-precious metals – Co, Fe and Mn: recent advances in an emerging field

(2018) Georgy A. Filonenko et al.   CHEMICAL SOCIETY REVIEWS

A visualization of the intrinsic reaction coordinate and global reaction route map by classical multidimensional scaling

(2018) Takuro Tsutsumi et al.   Journal of Chemical Theory and Computation

Recent Advances in Hydrometallation of Alkenes and Alkynes via the First Row Transition Metal Catalysis

(2018) Jianhui Chen et al.   CHINESE JOURNAL OF CHEMISTRY

Push-pull architecture eliminates chain length effects on exciton dissociation

(2018) Melissa Aplan et al.   Journal of Materials Chemistry A

First-Row Transition Metal (De)Hydrogenation Catalysis Based On Functional Pincer Ligands

(2018) Lukas Alig et al.   CHEMICAL REVIEWS

Room Temperature Iron-Catalyzed Transfer Hydrogenation and Regioselective Deuteration of Carbon–Carbon Double Bonds

(2018) Maialen Espinal-Viguri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The role of the metal-bound N–H functionality in Noyori-type molecular catalysts

(2018) Pavel A. Dub et al.   Nature Reviews Chemistry

Stabilizing a different cyclooctatetraene stereoisomer

(2017) Longfei Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

“Push–Pull π+/π–” (PPππ) Systems in Catalysis

(2017) Juan V. Alegre-Requena et al.   ACS Catalysis

Cooperative Strategies for Catalytic Hydrogenation of Unsaturated Hydrocarbons

(2017) Malkanthi K. Karunananda et al.   ACS Catalysis

Enhanced Basicity of Push–Pull Nitrogen Bases in the Gas Phase

(2016) Ewa D. Raczyńska et al.   CHEMICAL REVIEWS

Iron-Catalyzed Homogeneous Hydrogenation of Alkenes under Mild Conditions by a Stepwise, Bifunctional Mechanism

(2016) Ruibo Xu et al.   ACS Catalysis

Design of Organocatalysts for Asymmetric Propargylations through Computational Screening

(2016) Analise C. Doney et al.   ACS Catalysis

Exploiting Metal–Ligand Bifunctional Reactions in the Design of Iron Asymmetric Hydrogenation Catalysts

(2015) Robert H. Morris   ACCOUNTS OF CHEMICAL RESEARCH

Quantum chemical studies of asymmetric reactions: Historical aspects and recent examples

(2015) Kathrin H. Hopmann   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Boryl-Mediated Reversible H2 Activation at Cobalt: Catalytic Hydrogenation, Dehydrogenation, and Transfer Hydrogenation

(2013) Tzu-Pin Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mild and Homogeneous Cobalt-Catalyzed Hydrogenation of CC, CO, and CN Bonds

(2012) Guoqi Zhang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Alkene Hydrogenation Catalyzed by Nickel Hydride Complexes of an Aliphatic PNP Pincer Ligand

(2012) Kalyan V. Vasudevan et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Reversible H2 Addition across a Nickel–Borane Unit as a Promising Strategy for Catalysis

(2012) W. Hill Harman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Outer sphere hydrogenation catalysis

(2012) Odile Eisenstein et al.   NEW JOURNAL OF 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

Computational prediction of small-molecule catalysts

(2008) K. N. Houk et al.   NATURE

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

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