Evaluation of the Interfacial Adsorptivity of 2-Hydroxy-5-nonylbenzophenone Oxime by a Molecular Dynamics Simulation

Canonical dynamics: Equilibrium phase-space distributions

1985 • 20,411 citations

DREIDING: a generic force field for molecular simulations

1990 • 5,956 citations

Function minimization by conjugate gradients

1964 • 4,653 citations

Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges

1980 • 3,898 citations

Charge equilibration for molecular dynamics simulations

1991 • 3,111 citations

Interfacial Mechanism in the Extraction Kinetics of Ni(II) with 2-(5-Bromo-2-pyridylazo)-5-diethylaminophenol and Molecular Dynamics Simulation of Interfacial Reactivity of the Ligand

1997 • 46 citations

Kinetics of the Interfacial Mechanism in the Extraction of Nickel(II) with 5-Nonylsalicylaldoxime

1994 • 43 citations