A theoretical investigation of substituent effects on the stability and reactivity of N-heterocyclic olefin carboxylates

Sustainable conversion of carbon dioxide: the advent of organocatalysis

(2015) Giulia Fiorani et al.   GREEN CHEMISTRY

Recent Advances in Carbon Dioxide Capture, Fixation, and Activation by using N-Heterocyclic Carbenes

(2014) Longhua Yang et al.   ChemSusChem

Mechanism of N-heterocyclic carbene-catalyzed chemical fixation of CO2 with aziridines: a theoretical study

(2014) Weiyi Li et al.   RSC Advances

Preparation of 2-Alkylidene-Substituted 1,3,4,5-Tetramethylimidazolines and Their Reactivity Towards RhIComplexes and B(C6F5)3

(2013) Sabrina Kronig et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Fast CO2 Sequestration, Activation, and Catalytic Transformation Using N-Heterocyclic Olefins

(2013) Yan-Bo Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Nucleophilic Reactivities of Deoxy Breslow Intermediates: How Does Aromaticity Affect the Catalytic Activities of N-Heterocyclic Carbenes?

(2012) Biplab Maji et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Oxidation Ability of CO2for the Transformation of Cinnamic Aldehydes to Acids Catalyzed by N-Heterocyclic Carbene: Combining Computational and Experimental Studies

(2012) Xingye Ren et al.   ChemCatChem

Recent developments in carbon dioxide utilization for the production of organic chemicals

(2012) Iwao Omae   COORDINATION CHEMISTRY REVIEWS

Carbon dioxide utilization as a soft oxidant and promoter in catalysis

(2012) Mohd Bismillah Ansari et al.   Energy & Environmental Science

Carbon dioxide utilization with C–N bond formation: carbon dioxide capture and subsequent conversion

(2012) Zhen-Zhen Yang et al.   Energy & Environmental Science

Cycloaddition of tertiary aziridines and carbon dioxide using a recyclable organocatalyst, 1,3-di-tert-butylimidazolium-2-carboxylate: straightforward access to 3-substituted 2-oxazolidones

(2012) Atsushi Ueno et al.   GREEN CHEMISTRY

Quantitative analysis of molecular surface based on improved Marching Tetrahedra algorithm

(2012) Tian Lu et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

16-Electron cycloheptatrienyl zirconium allyl complexes

(2012) Andreas Glöckner et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

Intercepting low oxidation state main group hydrides with a nucleophilic N-heterocyclic olefin

(2011) S. M. Ibrahim Al-Rafia et al.   CHEMICAL COMMUNICATIONS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Assessment of Stereoelectronic Factors That Influence the CO2 Fixation Ability of N-Heterocyclic Carbenes: A DFT Study

(2011) Manjaly J. Ajitha et al.   JOURNAL OF ORGANIC CHEMISTRY

NHC catalyzed CO2 fixation with epoxides: Probable mechanisms reveal ter molecular pathway

(2011) Manjaly J. Ajitha et al.   TETRAHEDRON LETTERS

Recent developments in carbon dioxide utilization under mild conditions

(2010) Siti Nurhanna Riduan et al.   DALTON TRANSACTIONS

Chemistry of Carbon Dioxide Relevant to Its Utilization: A Personal Perspective

(2010) Donald J. Darensbourg   INORGANIC CHEMISTRY

Appraisal of Through-Bond and Through-Space Substituent Effects via Molecular Electrostatic Potential Topography

(2010) Fareed Bhasha Sayyed et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The Catalytic Role of N-Heterocyclic Carbene in a Metal-Free Conversion of Carbon Dioxide into Methanol: A Computational Mechanism Study

(2010) Fang Huang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

NHC Catalyzed Transformation of Aromatic Aldehydes to Acids by Carbon Dioxide: An Unexpected Reaction†

(2010) Vijay Nair et al.   ORGANIC LETTERS

N-Heterocyclic Carbenes as Efficient Organocatalysts for CO2Fixation Reactions

(2009) Yoshihito Kayaki et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Conversion of Carbon Dioxide into Methanol with Silanes over N-Heterocyclic Carbene Catalysts

(2009) Siti Nurhanna Riduan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates

(2009) Bret R. Van Ausdall et al.   JOURNAL OF ORGANIC 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

Quantification of substituent effects using molecular electrostatic potentials: additive nature and proximity effects

(2009) Fareed Bhasha Sayyed et al.   NEW JOURNAL OF CHEMISTRY

Understanding the mechanism of polar Diels–Alder reactions

(2009) Luis R. Domingo et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Density Functionals with Broad Applicability in Chemistry

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

Coordination Chemistry of Ene-1,1-diamines and a Prototype “Carbodicarbene”

(2008) Alois Fürstner et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A further exploration of a nucleophilicity index based on the gas-phase ionization potentials

(2008) Paula Jaramillo et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Understanding the Reactivity of Captodative Ethylenes in Polar Cycloaddition Reactions. A Theoretical Study†

(2008) Luis R. Domingo et al.   JOURNAL OF ORGANIC CHEMISTRY

CO2Adducts ofN-Heterocyclic Carbenes: Thermal Stability and Catalytic Activity toward the Coupling of CO2with Epoxides

(2008) Hui Zhou et al.   JOURNAL OF ORGANIC CHEMISTRY

Electronic Structure, Molecular Electrostatic Potential, and NMR Chemical Shifts in Cucurbit[n]urils (n= 5−8), Ferrocene, and Their Complexes

(2008) Rahul V. Pinjari et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Calculation of Solvation Free Energies of Charged Solutes Using Mixed Cluster/Continuum Models

(2008) Vyacheslav S. Bryantsev et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular electrostatic potentials of divalent carbon(0) compounds

(2008) Milind M. Deshmukh et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS