Understanding the effect of the divalent cations (Ni, Cu, and Zn) exchanged FAU zeolite on the kinetic of CO2 cycloaddition with ethylene oxide: A DFT study

How magnetic field affects catalytic CO2 hydrogenation over Fe-Cu/MCM-41: In situ active metal phase—reactivity observation during activation and reaction

(2022) Sirapat Munpollasri et al.   CHEMICAL ENGINEERING JOURNAL

CO2 Adsorption Properties of a N,N-Diethylethylenediamine-Appended M2(dobpdc) Series of Materials and Their Detailed Microprocess

(2021) Xin Zheng et al.   CRYSTAL GROWTH & DESIGN

Understanding the Effect of Water on CO2 Adsorption

(2021) Joel M. Kolle et al.   CHEMICAL REVIEWS

Facile adjusting the concentration of siliceous seed to obtain ZSM-5 for cycloaddition reaction of styrene oxide and CO2

(2020) Wei Liu et al.   Inorganic and Nano-Metal Chemistry

Adsorption Properties and Microscopic Mechanism of CO2 Capture in 1,1-Dimethyl-1,2-ethylenediamine-Grafted Metal–Organic Frameworks

(2020) Hui Zhang et al.   ACS Applied Materials & Interfaces

Ionic Liquid Modification of Hierarchical ZSM-5 for Solvent-Free Insertion of CO2 to Epoxides

(2020) Niloufar Nokhodiyan Isfahani et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Bi‐Based Metal‐Organic Framework Derived Leafy Bismuth Nanosheets for Carbon Dioxide Electroreduction

(2020) Jian Yang et al.   Advanced Energy Materials

Unveiling the Molecular Mechanism of CO2 Capture in N-Methylethylenediamine-Grafted M2(dobpdc)

(2020) Hui Zhang et al.   ACS Sustainable Chemistry & Engineering

Defect Engineering on Carbon-Based Catalysts for Electrocatalytic CO2 Reduction

(2020) Dongping Xue et al.   Nano-Micro Letters

Ab initio screening of zeolite Y formulations for efficient adsorption of thiophene in presence of benzene

(2020) Etienne Paul Hessou et al.   APPLIED SURFACE SCIENCE

Continuous Partial Oxidation of Methane to Methanol Catalyzed by Diffusion-Paired Copper Dimers in Copper-Exchanged Zeolites

(2019) Kimberly T. Dinh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CO2 Adsorption Capacities in Zeolites and Layered Double Hydroxide Materials

(2019) Cristina Megías-Sayago et al.   Frontiers in Chemistry

CO2 hydrogenation to high-value products via heterogeneous catalysis

(2019) Run-Ping Ye et al.   Nature Communications

Mesoporous Titanium-Silicalite Zeolite Containing Organic Templates as a Bifunctional Catalyst for Cycloaddition of CO2 and Epoxides

(2018) Dan Liu et al.   ACS Applied Materials & Interfaces

Catalytic Conversion of CO2 to Cyclic Carbonates through Multifunctional Zinc-Modified ZSM-5 Zeolite

(2018) Qing-Ning Zhao et al.   CHINESE JOURNAL OF CHEMISTRY

Catalytic Preparation of Cyclic Carbonates from CO2 and Epoxides by Metal–Porphyrin and −Corrole Complexes: Insight into Effects of Cocatalyst and meso-Substitution

(2018) Ping Li et al.   ORGANOMETALLICS

Cycloaddition Reaction of Spiro-Epoxy Oxindole with CO2 at Atmospheric Pressure Using Deep Eutectic Solvent

(2018) Raj Kumar Tak et al.   ACS Sustainable Chemistry & Engineering

Polymers Based on Cyclic Carbonates as trait d´Union Between Polymer Chemistry and Sustainable CO2 Utilization

(2018) Neha Yadav et al.   ChemSusChem

Mechanistic Insight into the [4 + 2] Diels–Alder Cycloaddition over First Row d-Block Cation-Exchanged Faujasites

(2018) Roderigh Y. Rohling et al.   ACS Catalysis

Activation and Utilization of CO2 Using Ionic Liquid or Amine-Functionalized Basic Nanocrystalline Zeolites for the Synthesis of Cyclic Carbonates and Quinazoline-2,4(1H,3H)-dione

(2017) Bhaskar Sarmah et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Highly efficient and recyclable basic mesoporous zeolite catalyzed condensation, hydroxylation, and cycloaddition reactions

(2017) Bhaskar Sarmah et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Metal dimer sites in ZSM-5 zeolite for methane-to-methanol conversion from first-principles kinetic modelling: is the [Cu–O–Cu]2+ motif relevant for Ni, Co, Fe, Ag, and Au?

(2017) Adam A. Arvidsson et al.   Catalysis Science & Technology

CO2 Cycloaddition to Epoxides by using M-DABCO Metal-Organic Frameworks and the Influence of the Synthetic Method on Catalytic Reactivity

(2017) Bibimaryam Mousavi et al.   ChemistryOpen

Hydrogenation of CO 2 to formic acid over a Cu-embedded graphene: A DFT study

(2016) J. Sirijaraensre et al.   APPLIED SURFACE SCIENCE

Highly Active and Robust Metalloporphyrin Catalysts for the Synthesis of Cyclic Carbonates from a Broad Range of Epoxides and Carbon Dioxide

(2016) Chihiro Maeda et al.   CHEMISTRY-A EUROPEAN JOURNAL

An efficient metal- and solvent-free organocatalytic system for chemical fixation of CO2 into cyclic carbonates under mild conditions

(2016) Lin Wang et al.   GREEN CHEMISTRY

Cr(salophen) Complex Catalyzed Cyclic Carbonate Synthesis at Ambient Temperature And Pressure

(2016) José A. Castro-Osma et al.   ACS Catalysis

On the Rational Design of Zeolite Clusters

(2015) Angela N. Migues et al.   ACS Catalysis

Reaction Mechanism of Epoxide Cycloaddition to CO2 Catalyzed by Salen-M (M = Co, Al, Zn)

(2014) Ting-Ting Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Density Functional Theory Study of Mixed Aldol Condensation Catalyzed by Acidic Zeolites HZSM-5 and HY

(2014) Angela N. Migues et al.   Journal of Physical Chemistry C

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

Mechanistic Insight into the Formation of Acetic Acid from the Direct Conversion of Methane and Carbon Dioxide on Zinc-Modified H–ZSM-5 Zeolite

(2013) Jian-Feng Wu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis of cyclic carbonates catalysed by aluminium heteroscorpionate complexes

(2013) José A. Castro-Osma et al.   Catalysis Science & Technology

Single-Crystal Structures of Fully and Partially Dehydrated Zeolite Y (FAU, Si/Al = 1.56) Ni2+ Exchanged at a Low pH, 4.9

(2012) Sung Man Seo et al.   Journal of Physical Chemistry C

Capture of Carbon Dioxide from Air and Flue Gas in the Alkylamine-Appended Metal–Organic Framework mmen-Mg2(dobpdc)

(2012) Thomas M. McDonald et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The conversion of CO2 and CH4 to acetic acid over the Au-exchanged ZSM-5 catalyst: a density functional theory study

(2012) Wasinee Panjan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structures and mechanisms of the dehydration of benzaldoxime over Fe-ZSM-5 zeolites: a DFT study

(2012) Jakkapan Sirijaraensre et al.   STRUCTURAL CHEMISTRY

Density Functional Theory Study of the Carbonyl-ene Reaction of Encapsulated Formaldehyde in Cu(I), Ag(I), and Au(I) Exchanged FAU Zeolites

(2011) Sippakorn Wannakao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Nickel Coordination to Lattice Oxygens in Basic LSX, X and Y Sodium Faujasites: A DFT Study

(2011) H. Guesmi et al.   Journal of Physical Chemistry C

Theoretical study of the carbonyl-ene reaction between formaldehyde and propylene on the MgY zeolite

(2011) Hui Fu et al.   Computational and Theoretical Chemistry

Adsorption of CO on gas phase and zeolite supported gold monomers: A computational study

(2010) Ajanta Deka et al.   CHEMICAL PHYSICS LETTERS

Density Functional Theory in Transition-Metal Chemistry:  Relative Energies of Low-Lying States of Iron Compounds and the Effect of Spatial Symmetry Breaking

(2008) Anastassia Sorkin et al.   Journal of Chemical Theory and Computation

A Theoretical Investigation of Dimethyl Carbonate Synthesis on Cu−Y Zeolite

(2008) Xiaobo Zheng et al.   Journal of Physical Chemistry C

Benchmark Data for Interactions in Zeolite Model Complexes and Their Use for Assessment and Validation of Electronic Structure Methods

(2008) Yan Zhao et al.   Journal of Physical Chemistry C

cclib: A library for package-independent computational chemistry algorithms

(2007) Noel M. O'boyle et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY