An optimized minimal contracted-gaussian basis set for organic PI-systems
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference17 articles.
1. Gaussian Lobe Function Expansions of Hartree—Fock Solutions for the First‐Row Atoms and Ethylene
2. Barrier to Internal Rotation in Ethane
3. Ethylene Molecule in a Gaussian Basis. II. Contracted Bases
4. D. Neumann and J.W. Moskowitz, private communication
5. Benzene and Its Ionized States
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3. A Theoretical Approach to Substituent Interactions in Substituted Benzenes;Progress in Physical Organic Chemistry;2007-04-04
4. Ab initioMO study of Fe out-of-plane displacement and Fe-ligand vibration in five-coordinate Fe-porphyrin;International Journal of Quantum Chemistry;1987-03-12
5. Ab initio SCF‐CI calculation on free base porphin and chlorin; theoretical analysis on intensities of the absorption spectra;The Journal of Chemical Physics;1986-10-15
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