Liqun Deng

The Role of Bulky Substituents in Brookhart-Type Ni(II) Diimine Catalyzed Olefin Polymerization:  A Combined Density Functional Theory and Molecular Mechanics Study

Liqun Deng, Tom K. Woo, Luigi Cavallo et al. · Journal of the American Chemical Society · 1997 · 330 citations

A Density Functional Study of Nickel(II) Diimide Catalyzed Polymerization of Ethylene

Liqun Deng, Peter Margl, Tom Ziegler · Journal of the American Chemical Society · 1997 · 197 citations

Ethylene Polymerization, Chain Propagation, Engineering +18

The determination of intrinsic reaction coordinates by density functional theory

Liqun Deng, Tom Ziegler · International Journal of Quantum Chemistry · 1994 · 167 citations

Chemical Engineering, Engineering, Physics +15

Mechanistic Aspects of Ethylene Polymerization by Iron(II)−Bisimine Pyridine Catalysts: A Combined Density Functional Theory and Molecular Mechanics Study

Liqun Deng, Peter Margl, Tom Ziegler · Journal of the American Chemical Society · 1999 · 157 citations

Potential Energy Surfaces of the Gas-Phase SN2 Reactions X- + CH3X = XCH3 + X- (X = F, Cl, Br, I): A Comparative Study by Density Functional Theory and ab Initio Methods

Liqun Deng, Vicenç Branchadell, Tom Ziegler · Journal of the American Chemical Society · 1994 · 157 citations

Inorganic Chemistry, Engineering, Potential Energy Surfaces +14