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Highly Cited

2008

Highly Cited

2008

Although density functional theory is widely used in the computational chemistry community, the most popular density functional… Expand

Highly Cited

2006

Highly Cited

2006

An algorithm is presented for carrying out decomposition of electronic charge density into atomic contributions. As suggested by… Expand

Highly Cited

2003

Highly Cited

2003

The electron density, its gradient, and the Kohn-Sham orbital kinetic energy density are the local ingredients of a meta… Expand

Highly Cited

1996

Highly Cited

1996

Generalized gradient approximations (GGA’s) for the exchange-correlation energy improve upon the local spin density (LSD… Expand

Highly Cited

1996

Highly Cited

1996

The parametrization and testing of the OPLS all-atom force field for organic molecules and peptides are described. Parameters for… Expand

Highly Cited

1995

Highly Cited

1995

From the Publisher:
Artificial "neural networks" are now widely used as flexible models for regression classification… Expand

Highly Cited

1992

Highly Cited

1992

Abstract Procedures to define boundary conditions for Navier-Stokes equations are discussed. A new formulation using… Expand

Review

1990

Review

1990

Abstract Stochastic substitution, the Gibbs sampler, and the sampling-importance-resampling algorithm can be viewed as three… Expand

Review

1984

Review

1984

Pseudoreplication is defined. as the use of inferential statistics to test for treatment effects with data from experiments where… Expand

Highly Cited

1974

Highly Cited

1974

Plane turbulent mixing between two streams of different gases (especially nitrogen and helium) was studied in a novel apparatus… Expand