Benchmark correlation energies for small molecules
Author:
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
http://www.tandfonline.com/doi/pdf/10.1080/00268970512331339323
Reference28 articles.
1. Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
2. Gaussian‐1 theory: A general procedure for prediction of molecular energies
3. Gaussian‐1 theory of molecular energies for second‐row compounds
4. Gaussian‐2 theory for molecular energies of first‐ and second‐row compounds
5. Gaussian-3 (G3) theory for molecules containing first and second-row atoms
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