Assessment of Gaussian-3 and density functional theories for a larger experimental test set
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.481336
Reference36 articles.
1. Benchmark calculations with correlated molecular wave functions. VIII. Bond energies and equilibrium geometries of the CHn and C2Hn (n=1–4) series
2. An examination of intrinsic errors in electronic structure methods using the Environmental Molecular Sciences Laboratory computational results database and the Gaussian-2 set
3. Thermochemistry of CHn, SiHn(n=0–4), and the cations SiH+, SiH2+, and SiH3+: A converged quantum mechanical approach
4. A complete basis set model chemistry. VI. Use of density functional geometries and frequencies
5. Towards standard methods for benchmark quality ab initio thermochemistry—W1 and W2 theory
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