Margaret Mandziuk

Nonlinear Resonance Artifacts in Molecular Dynamics Simulations

Tamar Schlick, Margaret Mandziuk, Robert D. Skeel et al. · Journal of Computational Physics · 1998 · 125 citations · Full text

Engineering, Molecular Biology, Computational Chemistry +19

van der Waals vibrational states of atom–large molecule complexes by a 3D discrete variable representation method: Naphthalene⋅Ar

Margaret Mandziuk, Zlatko Bačić · The Journal of Chemical Physics · 1993 · 70 citations

Engineering, Dvr Method, Computational Chemistry +16

Resonance in the dynamics of chemical systems simulated by the implicit midpoint scheme

Margaret Mandziuk, Tamar Schlick · Chemical Physics Letters · 1995 · 56 citations · Full text

Engineering, Computational Chemistry, Dependent Resonances +19

Resonances in the photodissociation of HCl in the Ar–HCl van der Waals complex: How prominent are they?

Thomas Schröder, Reinhard Schinke, Margaret Mandziuk et al. · The Journal of Chemical Physics · 1994 · 51 citations

Total Energy, Engineering, Computational Chemistry +17

Ab Initio Calculations of Enthalpies of Hydrogenation, Isomerization, and Formation of Cyclic C₆ Hydrocarbons. Benzene Isomers

Ziru Li, Donald W. Rogers, Frank J. McLafferty et al. · The Journal of Physical Chemistry A · 1999 · 35 citations

Chemical Kinetics, Engineering, Organic Chemistry +16