Calculation of spin densities in diatomic first‐row hydrides
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.457547
Reference24 articles.
1. Spin densities of first-row atoms calculated from polarization wave functions with accurate numerical methods
2. Gaussian basis sets for calculation of spin densities in first-row atoms
3. Magnetic Hyperfine Structure in Diatomic Molecules
4. Numerical hartree-fock methods for diatomic molecules: A partial-wave expansion approach
5. Electronic rearrangements during chemical reactions. II. Planar dissociation of ethylene
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