| 1 |
Nuclear spin-spin coupling in the acetylene isotopomers calculated from ab initio correlated surfaces for (1)J(C, H), (1)J(C, C), (2)J(C, H), and (3)J(H, H)
Wigglesworth RD, Raynes WT, Kirpekar S, Oddershede J, Sauer SPA
Journal of Chemical Physics, 112(8), 3735, 2000 |
| 2 |
Experimental and theoretical ab initio study of the C-13-C-13 spin-spin coupling and H-1 and C-13 shielding tensors in ethane, ethene, and ethyne
Kaski J, Lantto P, Vaara J, Jokisaari J
Journal of the American Chemical Society, 120(16), 3993, 1998 |
| 3 |
Electron Correlation-Effects on the Theoretical Calculation of Nuclear-Magnetic-Resonance Spin-Spin Coupling-Constants
Perera SA, Nooijen M, Bartlett RJ
Journal of Chemical Physics, 104(9), 3290, 1996 |
| 4 |
A New Implementation of the 2nd-Order Polarization Propagator Approximation (Soppa) - The Excitation-Spectra of Benzene and Naphthalene
Packer MJ, Dalskov EK, Enevoldsen T, Jensen HJ, Oddershede J
Journal of Chemical Physics, 105(14), 5886, 1996 |
| 5 |
C-13-C-13 Spin-Spin Coupling Tensors in Benzene as Determined Experimentally by Liquid-Crystal NMR and Theoretically by Ab-Initio Calculations
Kaski J, Vaara J, Jokisaari J
Journal of the American Chemical Society, 118(37), 8879, 1996 |
| 6 |
A Multiconfiguration Self-Consistent-Field Response Study of One-Photon and 2-Photon Dipole Transitions Between the X(1)Sigma(+) and A-(1)Pi States of Co
Sundholm D, Olsen J, Jorgensen P
Journal of Chemical Physics, 102(10), 4143, 1995 |
| 7 |
Coupled-Cluster Calculations of Indirect Nuclear Coupling-Constants - The Importance of Non-Fermi Contact Contributions
Perera SA, Sekino H, Bartlett RJ
Journal of Chemical Physics, 101(3), 2186, 1994 |
| 8 |
Multiconfigurational Self-Consistent-Field Calculations of Nuclear-Magnetic-Resonance Indirect Spin-Spin Coupling-Constants
Barszczewicz A, Helgaker T, Jaszunski M, Jorgensen P, Ruud K
Journal of Chemical Physics, 101(8), 6822, 1994 |
