A basis set in theoretical and computational chemistry is a set of functions (called basis functions) which are combined in linear combinations… (More)

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2010

2010

- Jacob Beal
- 2010 Fourth IEEE International Conference on Self…
- 2010

Although many different models of spatial computation have been proposed, no unifying theory of computation over continuous space… (More)

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2009

Highly Cited

2009

- Julien Mairal, Francis R. Bach, Jean Ponce, Guillermo Sapiro
- ICML
- 2009

Sparse coding---that is, modelling data vectors as sparse linear combinations of basis elements---is widely used in machine… (More)

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2008

Highly Cited

2008

Recently, the problem of signal representation in terms of basis vectors from a large, ”overcomplete”, spanning dictionary has… (More)

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2007

Highly Cited

2007

- Karen Schuchardt, Brett T. Didier, +5 authors Theresa L. Windus
- Journal of Chemical Information and Modeling
- 2007

Basis sets are some of the most important input data for computational models in the chemistry, materials, biology, and other… (More)

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2007

Highly Cited

2007

- Robert Glenn Stockwell
- Digital Signal Processing
- 2007

The S-transform is a time-frequency representation known for its local spectral phase properties. A key feature of the S… (More)

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2001

Highly Cited

2001

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

- Wendy D. Cornell, Piotr Cieplak, +7 authors Peter A. Kollman
- 2001

We present the derivation of a new molecular mechanical force field for simulating the structures, conformational energies, and… (More)

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2000

Highly Cited

2000

- Maja J Matari
- 2000

Imitation is a powerful means of skill acquisition, social interaction, and cultural transfer. Although popular notions of… (More)

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1999

Highly Cited

1999

Valence correlation consistent and augmented correlation consistent basis sets have been determined for the third row, main group… (More)

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1997

Highly Cited

1997

- Akxandre Ponget
- 1997

Sensorimotor transformations are nonlinear mappings of sensory inputs to motor responses. We explore here the possibility that… (More)

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1996

1996

We describe a simple method to automate the geometric optimization of molecular orbital calculations of supermolecules on… (More)

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