A concise review of computational studies of the carbon dioxide–epoxide copolymerization reactions

A computational study of the mechanism of the [(salen)Cr + DMAP]-catalyzed formation of cyclic carbonates from CO2 and epoxide

(2014) Debashis Adhikari et al.   CHEMICAL COMMUNICATIONS

Highly Active Aluminium Catalysts for the Formation of Organic Carbonates from CO2and Oxiranes

(2014) Christopher J. Whiteoak et al.   CHEMISTRY-A EUROPEAN JOURNAL

At What Chain Length Do Unbranched Alkanes Prefer Folded Conformations?

(2014) Jason N. Byrd et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical study on the chemical fixation of carbon dioxide with propylene oxide catalyzed by ammonium and guanidinium salts

(2014) Stéphanie Foltran et al.   Catalysis Science & Technology

Flexibly Tethered Dinuclear Zinc Complexes: A Solution to the Entropy Problem in CO2/Epoxide Copolymerization Catalysis?

(2013) Maximilian W. Lehenmeier et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A DFT Study on the Mechanism of the Cycloaddition Reaction of CO2to Epoxides Catalyzed by Zn(Salphen) Complexes

(2013) Fernando Castro-Gómez et al.   CHEMISTRY-A EUROPEAN JOURNAL

Heteroleptic Tin(II) Initiators for the Ring-Opening (Co)Polymerization of Lactide and Trimethylene Carbonate: Mechanistic Insights from Experiments and Computations

(2013) Lingfang Wang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Life-cycle assessment of carbon dioxide capture and utilization: avoiding the pitfalls

(2013) Niklas von der Assen et al.   Energy & Environmental Science

Base initiated depolymerization of polycarbonates to epoxide and carbon dioxide co-monomers: a computational study

(2013) Donald J. Darensbourg et al.   GREEN CHEMISTRY

Kinetics and thermodynamics of the decarboxylation of 1,2-glycerol carbonate to produce glycidol: computational insights

(2013) Donald J. Darensbourg et al.   GREEN CHEMISTRY

Understanding the Mechanism of Polymerization of ε-Caprolactone Catalyzed by Aluminum Salen Complexes

(2013) Maria O. Miranda et al.   INORGANIC CHEMISTRY

Experimental and theoretical studies on CO2 and propylene oxide (PO) copolymerization catalyzed by ZnEt2–glycerine–Y(CCl3COO)3 ternary catalyst

(2013) Xing Pan et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Biodegradable CO2-based polycarbonates with rapid and reversible thermal response at body temperature

(2013) Qinghai Zhou et al.   JOURNAL OF POLYMER SCIENCE PART A-POLYMER CHEMISTRY

Enantioselective Polymerization of Epoxides Using Biaryl-Linked Bimetallic Cobalt Catalysts: A Mechanistic Study

(2013) Syud M. Ahmed et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of Atactic and Isotactic Poly(1,2-glycerol carbonate)s: Degradable Polymers for Biomedical and Pharmaceutical Applications

(2013) Heng Zhang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic Basis for High Stereoselectivity and Broad Substrate Scope in the (salen)Co(III)-Catalyzed Hydrolytic Kinetic Resolution

(2013) David D. Ford et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Propargyl-Functional Aliphatic Polycarbonate Obtained from Carbon Dioxide and Glycidyl Propargyl Ether

(2013) Jeannette Hilf et al.   MACROMOLECULAR RAPID COMMUNICATIONS

An Efficient Method of Depolymerization of Poly(cyclopentene carbonate) to Its Comonomers: Cyclopentene Oxide and Carbon Dioxide

(2013) Donald J. Darensbourg et al.   MACROMOLECULES

Synthesis of CO2-Derived Poly(indene carbonate) from Indene Oxide Utilizing Bifunctional Cobalt(III) Catalysts

(2013) Donald J. Darensbourg et al.   MACROMOLECULES

Poly(1,2-glycerol carbonate): A Fundamental Polymer Structure Synthesized from CO2 and Glycidyl Ethers

(2013) Jeannette Geschwind et al.   MACROMOLECULES

Trivalent cobalt complex mediated formation of stereoregular CO2 copolymers from phenyl glycidyl ether

(2013) Wei-Min Ren et al.   Polymer Chemistry

Poly(carbonate) copolymers with a tailored number of hydroxyl groups from glycidyl ethers and CO2

(2013) Jeannette Hilf et al.   Polymer Chemistry

CO2 Copolymers from Epoxides: Catalyst Activity, Product Selectivity, and Stereochemistry Control

(2012) Xiao-Bing Lu et al.   ACCOUNTS OF CHEMICAL RESEARCH

The Last Globally Stable Extended Alkane

(2012) Nils O. B. Lüttschwager et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recycling CO2? Computational Considerations of the Activation of CO2with Homogeneous Transition Metal Catalysts

(2012) Markus Drees et al.   ChemCatChem

Theoretical studies of reactions of carbon dioxide mediated and catalysed by transition metal complexes

(2012) Ting Fan et al.   CHEMICAL COMMUNICATIONS

Mechanism of the Cycloaddition of Carbon Dioxide and Epoxides Catalyzed by Cobalt-Substituted 12-Tungstenphosphate

(2012) Fawang Chen et al.   CHEMISTRY-A EUROPEAN JOURNAL

The catalytic mechanism of KI and the co-catalytic mechanism of hydroxyl substances for cycloaddition of CO2 with propylene oxide

(2012) Jun Ma et al.   GREEN CHEMISTRY

What's new with CO2? Recent advances in its copolymerization with oxiranes

(2012) Donald J. Darensbourg et al.   GREEN CHEMISTRY

Glycerol carbonate as a versatile building block for tomorrow: synthesis, reactivity, properties and applications

(2012) Matthieu O. Sonnati et al.   GREEN CHEMISTRY

Ring-Opening Polymerization of Epoxides Catalyzed by Uranyl Complexes: An Experimental and Theoretical Study of the Reaction Mechanism

(2012) Jian Fang et al.   INORGANIC CHEMISTRY

Stable, Hydroxyl Functional Polycarbonates With Glycerol Side Chains Synthesized From CO2and Isopropylidene(glyceryl glycidyl ether)

(2012) Jeannette Geschwind et al.   MACROMOLECULAR RAPID COMMUNICATIONS

Depolymerization of Polycarbonates Derived from Carbon Dioxide and Epoxides to Provide Cyclic Carbonates. A Kinetic Study

(2012) Donald J. Darensbourg et al.   MACROMOLECULES

Experimental and Computational Investigation of the Mechanism of Carbon Dioxide/Cyclohexene Oxide Copolymerization Using a Dizinc Catalyst

(2012) Antoine Buchard et al.   MACROMOLECULES

Thermodynamics of the Carbon Dioxide–Epoxide Copolymerization and Kinetics of the Metal-Free Degradation: A Computational Study

(2012) Donald J. Darensbourg et al.   MACROMOLECULES

A Brief Review on Industrial Alternatives for the Manufacturing of Glycerol Carbonate, a Green Chemical

(2012) José R. Ochoa-Gómez et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

Experimental and Computational Studies of the Reaction of Carbon Dioxide with Pincer-Supported Nickel and Palladium Hydrides

(2012) Hee-Won Suh et al.   ORGANOMETALLICS

Quantum Chemical Determination of Stable Intermediates on CO2 Adsorption Onto Metal(Salen) Complexes

(2012) Maria C. Curet-Arana et al.   TOPICS IN CATALYSIS

Insights into quaternary ammonium salts-catalyzed fixation carbon dioxide with epoxides

(2012) Jin-Quan Wang et al.   Catalysis Science & Technology

Cobalt catalysts for the coupling of CO2and epoxides to provide polycarbonates and cyclic carbonates

(2011) Xiao-Bing Lu et al.   CHEMICAL SOCIETY REVIEWS

Differences in Reactivity of Epoxides in the Copolymerisation with Carbon Dioxide by Zinc-Based Catalysts: Propylene Oxide versus Cyclohexene Oxide

(2011) Maximilian W. Lehenmeier et al.   CHEMISTRY-A EUROPEAN JOURNAL

Influence of flue gas on the catalytic activity of an immobilized aluminium(salen) complex for cyclic carbonate synthesis

(2011) Michael North et al.   Energy & Environmental Science

A Computational Study on the Chemical Fixation of Carbon Dioxide with Epoxide Catalyzed by LiBr Salt

(2011) Ying Ren et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Synthesis of Poly(indene carbonate) from Indene Oxide and Carbon Dioxide—A Polycarbonate with a Rigid Backbone

(2011) Donald J. Darensbourg et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic Investigation and Reaction Kinetics of the Low-Pressure Copolymerization of Cyclohexene Oxide and Carbon Dioxide Catalyzed by a Dizinc Complex

(2011) Fabian Jutz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Salen-Complex-Mediated Formation of Cyclic Carbonates by Cycloaddition of CO2 to Epoxides

(2010) Antonello Decortes et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Isospecific polymerization of racemic epoxides: a catalyst system for the synthesis of highly isotactic polyethers

(2010) Peter C. B. Widger et al.   CHEMICAL COMMUNICATIONS

Catalysts for CO2/epoxide copolymerisation

(2010) Michael R. Kember et al.   CHEMICAL COMMUNICATIONS

Recent advances in CO2/epoxide copolymerization—New strategies and cooperative mechanisms

(2010) Stephan Klaus et al.   COORDINATION CHEMISTRY REVIEWS

Synthesis of cyclic carbonates from epoxides and CO2

(2010) Michael North et al.   GREEN CHEMISTRY

Enantioselective Epoxide Polymerization Using a Bimetallic Cobalt Catalyst

(2010) Renee M. Thomas et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A DFT Study on the Mechanism of the Coupling Reaction between Chloromethyloxirane and Carbon Dioxide Catalyzed by Re(CO)5Br

(2010) Cai-Hong Guo et al.   ORGANOMETALLICS

Cooperative activation in ring-opening hydrolysis of epoxides by Co-salen complexes: A first principle study

(2009) Keju Sun et al.   CHEMICAL PHYSICS LETTERS

An integrated approach to energy and chemicals production

(2009) Ian S. Metcalfe et al.   Energy & Environmental Science

Elucidation of the Structure of a Highly Active Catalytic System for CO2/Epoxide Copolymerization: A salen-Cobaltate Complex of an Unusual Binding Mode

(2009) Sung Jae Na et al.   INORGANIC CHEMISTRY

Highly oxidized polymers as an extreme of (bio)degradable polymers

(2009) Andrej Kržan   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

A Comprehensive Theoretical Study on the Coupling Reaction Mechanism of Propylene Oxide with Carbon Dioxide Catalyzed by Copper(I) Cyanomethyl

(2009) Cai-Hong Guo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

(Salen)Co(II)/n-Bu4NX Catalysts for the Coupling of CO2and Oxetane: Selectivity for Cyclic Carbonate Formation in the Production of Poly-(trimethylene carbonate)

(2009) Donald J. Darensbourg et al.   MACROMOLECULES