Coupled hartree-fock and second order polarization propagator calculations of indirect nuclear spin-spin coupling constants for diatomic molecules

Chemical Physics

Volumn 25, Issue 3, 1977, Pages 451-458

  Oddershede, Jens ^a   Jørgensen, Poul ^a   Beebe, Nelson H F ^a  

^a AARHUS UNIVERSITY   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0013491981     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/0301-0104(77)85154-9     Document Type: Article

References (39)

1. Molecular orbital theory of nuclear spin coupling constants
2. Calculation of the n.m.r. Spin-Spin Coupling Constants in Ethylene
3. Geminal Proton-Proton Coupling Constant
4. An order analysis of the particle–hole propagator
5. Nonempirical Calculations on Excited States: The Formaldehyde Molecule
6. Electronic Structure of the B2 Molecule
7. Time-dependent Hartree-Fock calculations in the Pariser-Parr-Pople model. Applications to aniline, azulene and pyridine
8. Stability Conditions for the Solutions of the Hartree—Fock Equations for Atomic and Molecular Systems. Application to the Pi-Electron Model of Cyclic Polyenes
9. Calculation of the indirect nuclear spin-spin coupling constant of the hydrogen molecule by the truncated matrix sum method
10. 13C spin coupling to group VI elements
11. Indirect spin coupling in group VI compounds: TeMe2, SeMe2, HSeMe, H2Se