Carbonylic-Carbon-Centered Mechanism for Catalytic α-Methylation

Selective Oxidation of H2 and CO by NiIr Catalyst in Aqueous Solution: A DFT Mechanistic Study

(2020) Miho Isegawa et al.   INORGANIC CHEMISTRY

Metal-Ligand Cooperation Facilitates Bond Activation and Catalytic Hydrogenation with Zinc Pincer Complexes

(2020) Michael Rauch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Silylated silicon–carbonyl complexes as mimics of ubiquitous transition-metal carbonyls

(2020) Dominik Reiter et al.   Nature Chemistry

Ru3(CO)12-Catalyzed Reaction of 1,6-Diynes, Carbon Monoxide, and Water via the Reductive Coupling of Carbon Monoxide

(2020) Cathleen M. Crudden et al.   ORGANIC LETTERS

Surprisingly stable Si–CO species

(2020) Debdeep Mandal et al.   Nature Chemistry

Iridium-Catalyzed α-Methylation of α-Aryl Esters Using Methanol as the C1 Source

(2019) Yuya Tsukamoto et al.   ORGANIC LETTERS

NBO 7.0 : New vistas in localized and delocalized chemical bonding theory

(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

Catalytic Homogeneous Hydrogenation of CO to Methanol via Formamide

(2019) Sayan Kar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molecularly Defined Manganese Catalyst for Low-Temperature Hydrogenation of Carbon Monoxide to Methanol

(2019) Pavel Ryabchuk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metal–Substrate Cooperation Mechanism for Dehydrogenative Amidation Catalyzed by a PNN-Ru Catalyst

(2018) Longfei Li et al.   INORGANIC CHEMISTRY

Charge-Displacement Analysis via Natural Orbitals for Chemical Valence in the Four-Component Relativistic Framework

(2018) Matteo De Santis et al.   Journal of Chemical Theory and Computation

Energetics of Variable Hapticity of Carbocyclic Rings in Cyclopentadienylmetal Carbonyl Systems of the Second Row Transition Metals C5H5M(CO)nCmHm (M = Ru, Tc, Mo, Nb) Including Mechanistic Studies of Carbonyl Dissociation

(2018) Zhihui Zhang et al.   ORGANOMETALLICS

Facile Activation and Deoxygenative Metathesis of CO

(2018) Connor S. MacNeil et al.   ORGANOMETALLICS

Catalytic C1  Alkylation with Methanol and Isotope-Labeled Methanol

(2018) Jan Sklyaruk et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

3d Transition Metals for C–H Activation

(2018) Parthasarathy Gandeepan et al.   CHEMICAL REVIEWS

CO-Reduction Chemistry: Reaction of a CO-Derived Formylhydridoborate with Carbon Monoxide, with Carbon Dioxide, and with Dihydrogen

(2017) Zhongbao Jian et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DFT Mechanistic Study on Alkene Hydrogenation Catalysis of Iron Metallaboratrane: Characteristic Features of Iron Species

(2017) Longfei Li et al.   ORGANOMETALLICS

π Activation of Alkynes in Homogeneous and Heterogeneous Gold Catalysis

(2016) Giovanni Bistoni et al.   JOURNAL OF PHYSICAL CHEMISTRY A

An Effective Pd-Catalyzed Regioselective Hydroformylation of Olefins with Formic Acid

(2016) Wenlong Ren et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2016) Ruibo Xu 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

Getting Down to Earth: The Renaissance of Catalysis with Abundant Metals

(2015) Paul Chirik et al.   ACCOUNTS OF CHEMICAL RESEARCH

A novel liquid organic hydrogen carrier system based on catalytic peptide formation and hydrogenation

(2015) Peng Hu et al.   Nature Communications

Profound Methyl Effects in Drug Discovery and a Call for New CH Methylation Reactions

(2013) Heike Schönherr et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Applications of Acceptorless Dehydrogenation and Related Transformations in Chemical Synthesis

(2013) C. Gunanathan et al.   SCIENCE

Methyl Effects on Protein–Ligand Binding

(2012) Cheryl S. Leung et al.   JOURNAL OF MEDICINAL CHEMISTRY

Aerobic CO Oxidation of a Metal-Bound Carbonyl in a NHC-Stabilized Cobalt Half-Sandwich Complex

(2012) Simon Dürr et al.   ORGANOMETALLICS

Divergent Reactivity of Mixed-Ligand Manganese(I) Carbonyl–Isocyanide Complexes toward Primary Amines

(2012) Javier Ruiz et al.   ORGANOMETALLICS

Nickel-Catalyzed Alkylation and Transfer Hydrogenation of α,β-Unsaturated Enones with Methanol

(2012) Nahury Castellanos-Blanco et al.   ORGANOMETALLICS

Diboration of Dialkynes with [2]Boraferrocenophanes

(2011) Florian Bauer et al.   ORGANOMETALLICS

Natural bond orbital methods

(2011) Eric D. Glendening et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

A review of new developments in the Friedel–Crafts alkylation – From green chemistry to asymmetric catalysis

(2010) Magnus Rueping et al.   Beilstein Journal of Organic Chemistry

Organic Reactions Catalyzed by Rhenium Carbonyl Complexes

(2010) Yoichiro Kuninobu et al.   CHEMICAL REVIEWS

Carbonyl Complexes of Rhodium with N-Donor Ligands: Factors Determining the Formation of Terminal versus Bridging Carbonyls

(2010) Wojciech I. Dzik et al.   ORGANOMETALLICS

Binuclear Cobalt Thiocarbonyl Carbonyl Derivatives: Comparison with Homoleptic Binuclear Cobalt Carbonyls

(2009) Zhong Zhang et al.   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

Binuclear Iron Carbonyl Nitrosyls: Bridging Nitrosyls versus Bridging Carbonyls

(2008) Hongyan Wang et al.   INORGANIC CHEMISTRY

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

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