Theoretical study on Au(i)-catalyzed [2 + 2 + 2] cycloadditions of ynamides with two discrete nitriles

Mechanistic insight into water-modulated cycloisomerization of enynyl esters using an Au(i) catalyst

(2015) Yuxia Liu et al.   DALTON TRANSACTIONS

Regiocontrolled Gold-Catalyzed [2+2+2] Cycloadditions of Ynamides with Two Discrete Nitriles to Construct 4-Aminopyrimidine Cores

(2014) Somnath Narayan Karad et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Understanding the Reactions of Aryl Iodides with Alkynes to Give New C-C and C-I Bonds: A DFT Study

(2014) Siwei Bi et al.   CURRENT ORGANIC CHEMISTRY

Catalytic Mechanisms of Direct Pyrrole Synthesis via Dehydrogenative Coupling Mediated by PNP-Ir or PNN-Ru Pincer Complexes: Crucial Role of Proton-Transfer Shuttles in the PNP-Ir System

(2014) Shuanglin Qu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Role of Acetate and Water in the Water-Assisted Pd(OAc)2-Catalyzed Cross-Coupling of Alkenes with N-Tosyl Hydrazones: A DFT Study

(2014) Bingwen Li et al.   ORGANOMETALLICS

Understanding the Reactivity Difference of Isocyanate and Isothiocyanate toward a Ruthenium Silylene Hydride Complex

(2014) Hujun Xie et al.   ORGANOMETALLICS

Theoretical Studies on a New Class of C–C Bond Formation: Palladium-Catalyzed Reactions of α-Diazocarbonyl Compounds with Allylic Esters

(2014) Hongliang Wang et al.   ORGANOMETALLICS

Ynamides in Ring Forming Transformations

(2013) Xiao-Na Wang et al.   ACCOUNTS OF CHEMICAL RESEARCH

Recent progress in the discovery of small molecules for the treatment of amyotrophic lateral sclerosis (ALS)

(2013) Allison S Limpert et al.   Beilstein Journal of Organic Chemistry

Rationale for the sluggish oxidative addition of aryl halides to Au(i)

(2013) Madeleine Livendahl et al.   CHEMICAL COMMUNICATIONS

Mechanistic Study of the Rhodium-Catalyzed [3+2+2] Carbocyclization of Alkenylidenecyclopropanes with Alkynes

(2013) Haizhu Yu et al.   Chemistry-An Asian Journal

Iron-Catalyzed Cycloaddition Reaction of Diynes and Cyanamides at Room Temperature

(2013) Chunxiang Wang et al.   JOURNAL OF ORGANIC CHEMISTRY

Reactions of Zirconocene Butadiyne or Monoyne Complexes with Nitriles: Straightfoward Synthesis of Functionalized Pyrimidines

(2013) Xu You et al.   ORGANOMETALLICS

DFT Studies on Copper-Catalyzed Hydrocarboxylation of Alkynes Using CO2 and Hydrosilanes

(2013) Ting Fan et al.   ORGANOMETALLICS

Computational Mechanistic Study of the Hydrogenation of Carbonate to Methanol Catalyzed by the RuIIPNN Complex

(2012) Haixia Li et al.   INORGANIC CHEMISTRY

Theoretical Investigation into the Mechanism of 3′-dGMP Oxidation by [PtIVCl4(dach)]

(2012) Alireza Ariafard et al.   INORGANIC CHEMISTRY

Iron-Catalyzed Formation of 2-Aminopyridines from Diynes and Cyanamides

(2012) Timothy K. Lane et al.   JOURNAL OF ORGANIC CHEMISTRY

Strategy for the Synthesis of Pyrimidine Derivatives: NbCl5-Mediated Cycloaddition of Alkynes and Nitriles

(2012) Yasushi Satoh et al.   ORGANOMETALLICS

Nickel-Catalyzed [2+2+2] Cycloaddition of Diynes and Cyanamides

(2011) Ryan M. Stolley et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines

(2011) Ana Z. González et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Iron-Catalyzed Cycloaddition of Alkynenitriles and Alkynes

(2011) Brendan R. D’Souza et al.   ORGANIC LETTERS

DFT Study on the Mechanism of the Activation and Cleavage of CO2by (NHC)CuEPh3(E = Si, Ge, Sn)

(2011) Alireza Ariafard et al.   ORGANOMETALLICS

Computational Study on the Catalytic Role of Pincer Ruthenium(II)-PNN Complex in Directly Synthesizing Amide from Alcohol and Amine: The Origin of Selectivity of Amide over Ester and Imine

(2011) Haixia Li et al.   ORGANOMETALLICS

Kinetics and mechanistic analysis of an extremely rapid carbon dioxide fixation reaction

(2011) D. Huang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Construction of fused heterocycles by metal-mediated [2+2+2] cyclotrimerization of alkynes and/or nitriles

(2011) Mohamed R. Shaaban et al.   TETRAHEDRON

Ynamides: Versatile Tools in Organic Synthesis

(2010) Gwilherm Evano et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ynamides: A Modern Functional Group for the New Millennium

(2010) Kyle A. DeKorver et al.   CHEMICAL REVIEWS

Asymmetric Synthesis of Axially Chiral 1-Aryl-5,6,7,8-tetrahydroquinolines by Cobalt-Catalyzed [2 + 2 + 2] Cycloaddition Reaction of 1-Aryl-1,7-octadiynes and Nitriles

(2010) Marko Hapke et al.   JOURNAL OF ORGANIC CHEMISTRY

Ligand-Controlled Regioselectivity in Palladium-Catalyzed Cross Coupling Reactions

(2010) Franziska Schoenebeck et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rhodium-Catalyzed Complete Regioselective Intermolecular Cross-Cyclotrimerization of Aryl Ethynyl Ethers and Nitriles or Isocyanates at Room Temperature

(2010) Yoshiyuki Komine et al.   ORGANIC LETTERS

Benchmark Energetic Data in a Model System for Grubbs II Metathesis Catalysis and Their Use for the Development, Assessment, and Validation of Electronic Structure Methods

(2009) Yan Zhao et al.   Journal of Chemical Theory and Computation

Revealing a Second Transmetalation Step in the Negishi Coupling and Its Competition with Reductive Elimination: Improvement in the Interpretation of the Mechanism of Biaryl Syntheses

(2009) Qiang Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

On the Impact of Steric and Electronic Properties of Ligands on Gold(I)-Catalyzed Cycloaddition Reactions

(2009) Diego Benitez et al.   ORGANIC LETTERS

Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability: theory and applications

(2009) Pedro E. M. Lopes et al.   THEORETICAL CHEMISTRY ACCOUNTS

Density Functionals with Broad Applicability in Chemistry

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

Mechanism, Regioselectivity, and the Kinetics of Phosphine-Catalyzed [3+2] Cycloaddition Reactions of Allenoates and Electron-Deficient Alkenes

(2008) Yong Liang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Molecular Modeling of Complex Chemical Systems

(2008) Donald G. Truhlar   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY