Theoretical studies on the aminolysis mechanism of propylene carbonate with ammonia

Mechanisms and Reactivity Differences for Cycloaddition of Anhydride to Alkyne Catalyzed by Palladium and Nickel Catalysts: Insight from Density Functional Calculations

(2014) Hujun Xie et al.   JOURNAL OF ORGANIC CHEMISTRY

DFT Studies on Copper-Catalyzed Arylation of Aromatic C–H Bonds

(2012) Meiyan Wang et al.   ORGANOMETALLICS

Mechanism of urethane formation from cyclocarbonates and amines: a quantum chemical study

(2012) M. V. Zabalov et al.   RUSSIAN CHEMICAL BULLETIN

Ligand-Controlled Regioselectivity in Palladium-Catalyzed Cross Coupling Reactions

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

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

The substituent effects of the leaving groups on the aminolysis of phenyl acetates: DFT studies

(2008) Guang-Quan Yi et al.   CHEMICAL PHYSICS

DFT Study and Monte Carlo Simulation on the Aminolysis of XC(O)OCH3(X = NH2, H, and CF3) with Monomeric and Dimeric Ammonias

(2008) Xuefei Xia et al.   Journal of Chemical Theory and Computation

Computational Study of the Aminolysis of Anhydrides: Effect of the Catalysis to the Reaction of Succinic Anhydride with Methylamine in Gas Phase and Nonpolar Solution

(2008) Tetyana Petrova et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Theoretical Study of the Acid-Promoted Hydrolysis of Oxazolin-5-one: A Microhydration Model

(2008) Yi Zeng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Theoretical study on the hydrolysis mechanism ofN,N-dimethyl-N′-(2-oxo-1, 2-dihydro-pyrimidinyl)formamidine: Water-assisted mechanism and cluster-continuum model

(2007) Yong Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY