Using Locally Dense Basis Sets for the Determination of Molecular Properties
Author:
Affiliation:
1. Department of Chemistry, Carleton University, 1125 Colonel By Drive, Ottawa, Ontario, Canada K1S 5B6
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp992492b
Reference38 articles.
1. Local Quantum Chemistry
2. Local Treatment of Electron Correlation
3. Direct calculation of electron density in density-functional theory: Implementation for benzene and a tetrapeptide
4. Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches
5. Gaussian‐1 theory of molecular energies for second‐row compounds
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