Locating stationary points for clusters in cartesian coordinates

Comparison of simple potential functions for simulating liquid water

1983 • 37,746 citations

Equation of State Calculations by Fast Computing Machines

1953 • 34,935 citations

Formulation of the reaction coordinate

1970 • 3,222 citations

Reaction path Hamiltonian for polyatomic molecules

1980 • 1,397 citations

Long-range Finnis–Sinclair potentials

1990 • 1,153 citations

Search for stationary points on surfaces

1985 • 789 citations

On finding transition states

1981 • 702 citations

On evaluating the reaction path Hamiltonian

1988 • 660 citations

Walking on potential energy surfaces

1983 • 490 citations

Chaos, Strange Attractors, and Fractal Basin Boundaries in Nonlinear Dynamics

1987 • 422 citations

The energetics and structure of nickel clusters: Size dependence

1991 • 378 citations

Elastic strains and the energy balance for multiply twinned particles

1984 • 271 citations

Coexistence in small inert gas clusters

1993 • 203 citations

How the range of pair interactions governs features of multidimensional potentials

1990 • 135 citations

Towards elucidating the interplay of structure and dynamics in clusters: Small KCl clusters as models

1992 • 107 citations

Geometry optimization in cartesian coordinates: The end of the Z‐matrix?

1991 • 101 citations

Finding saddle points for clusters

1989 • 84 citations

Potential surface walking and reaction paths for C2v beryllium + molecular hydrogen .rarw. beryllium hydride (BeH2) .fwdarw. beryllium + 2 atomic hydrogen (1A1)

1984 • 81 citations

Basins of attraction for stationary points on a potential-energy surface

1992 • 80 citations

Potential energy surfaces for water dynamics: Reaction coordinates, transition states, and normal mode analyses

1989 • 79 citations

Structural and topological consequences of anisotropic interactions in clusters

1990 • 78 citations

Exploring potential energy surfaces with transition state calculations

1990 • 74 citations

Transition states for Ar55

1990 • 68 citations

Packing schemes for Lennard-Jones clusters of 13 to 150 atoms: minima, transition states and rearrangement mechanisms

1991 • 57 citations

Geometry optimization in Cartesian coordinates: Constrained optimization

1992 • 53 citations

Rearrangement mechanisms of B12H122- and C2B10H12

1993 • 46 citations

On coordinate transformations in steepest descent path and stationary point locations

1992 • 40 citations

Potential energy functions for atomic solids

1991 • 39 citations

Balanced geometries and structural trends in covalent, ionic, and van der Waals clusters

1990 • 31 citations

Structures and rearrangements of model silicon clusters

1992 • 18 citations

Systematic investigation of the structures and rearrangements of six-atom clusters bound by a model anisotropic potential

1992 • 16 citations

Structure and rearrangements of small trapped-ion clusters

1993 • 15 citations

Heats of formation of the fluoborates of lithium, sodium and potassium

1968 • 15 citations