Molecular orbital studies of the energies and structure of polyatomic cations

International Journal of Mass Spectrometry and Ion Physics

Volumn 19, Issue 1, 1976, Pages 89-106

  Pople, John A ^a  

^a CARNEGIE MELLON UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002922187     PISSN: 00207381     EISSN: None     Source Type: Journal    
DOI: 10.1016/0020-7381(76)83006-9     Document Type: Article

References (36)

1. Correlated Gaussian wavefunctions for H[sub 3][sup +]
2. Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
3. Note on an Approximation Treatment for Many-Electron Systems
4. M�ller-Plesset theory for atomic ground state energies
5. Accuracy of AHnequilibrium geometries by single determinant molecular orbital theory
6. Stability of Polyatomic Molecules in Degenerate Electronic States. I. Orbital Degeneracy
7. Molecular orbital theory of the electronic structure of organic compounds. VI. Geometries and energies of small hydrocarbons
8. PNO[Single Bond]CI Studies of electron correlation effects. I. Configuration expansion by means of nonorthogonal orbitals, and application to the ground state and ionized states of methane
9. Molecular orbital theory of the electronic structure of organic compounds. X. Systematic study of geometries and energies of AHn molecules and cations
10. Structure of the [sup 2]A[sub 1]ʺ State of NH[sub 3] +]
11. Free Radicals by Mass Spectrometry. XLV. Ionization Potentials and Heats of Formation of C3H3, C3H5, and C4H7Radicals and Ions
12. Free Radicals by Mass Spectrometry. XLIII. Ionization Potentials and Ionic Heats of Formation for Vinyl, Allyl, and Benzyl Radicals
13. Free radicals by mass spectrometry. XLIL Ionization potentials and ionic heats of formation for C1—C4alkyl radicals