(Q58099688)

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Ab initio calculation of spin densities in hydrocarbon radicals

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Ab initio calculation of spin densities in hydrocarbon radicals (English)

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Daniel M. Chipman

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1

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English

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publication date

15 July 1979

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published in

Journal of Chemical Physics

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volume

71

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issue

2

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page(s)

761-768

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cites work

Self-Consistent Field Theory for Open Shells of Electronic Systems

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https://api.crossref.org/works/10.1063%2F1.438364

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21 January 2018

Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation Effects

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https://api.crossref.org/works/10.1063%2F1.438364

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21 January 2018

The calculation of hyperfine coupling constants of NF 2 and PF 2 by UHF and CI methods

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Crossref

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https://api.crossref.org/works/10.1063%2F1.438364

retrieved

21 January 2018

Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals

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https://api.crossref.org/works/10.1063%2F1.438364

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21 January 2018

Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules

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https://api.crossref.org/works/10.1063%2F1.438364

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21 January 2018

Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments.

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https://api.crossref.org/works/10.1063%2F1.438364

retrieved

21 January 2018

Nonempirical calculations of the isotropic hyperfine splitting constants of 13-C, 14-N, and 17-O in simple radicals

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https://api.crossref.org/works/10.1063%2F1.438364

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21 January 2018

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10.1063/1.438364

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(Q58099688)

Ab initio calculation of spin densities in hydrocarbon radicals

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