| 1 |
Rovibrational effects, temperature dependence, and isotope effects on the nuclear shielding tensors of water : A new O-17 absolute shielding scale
Vaara J, Lounila J, Ruud K, Helgaker T
Journal of Chemical Physics, 109(19), 8388, 1998 |
| 2 |
Calculating frequency-dependent hyperpolarizabilities using time-dependent density functional theory
van Gisbergen SJA, Snijders JG, Baerends EJ
Journal of Chemical Physics, 109(24), 10644, 1998 |
| 3 |
An experimental and theoretical investigation of the olefinic carbon chemical shift tensors in trans-stilbene and Pt(eta(2)-trans-stilbene)(PPh3)(2)
Bernard GM, Wu G, Wasylishen RE
Journal of Physical Chemistry A, 102(18), 3184, 1998 |
| 4 |
Theoretical and experimental study of the C-13 chemical shift tensors of acetone complexed with Bronsted and Lewis acids
Barich DH, Nicholas JB, Xu T, Haw JF
Journal of the American Chemical Society, 120(47), 12342, 1998 |
| 5 |
Isotope and Temperature Effects on the C-13 and Se-77 Nuclear Shielding in Carbon Diselenide
Lounila J, Vaara J, Hiltunen Y, Pulkkinen A, Jokisaari J, Alakorpela M, Ruud K
Journal of Chemical Physics, 107(5), 1350, 1997 |
| 6 |
C-13 Chemical-Shift Tensors for Acylium Ions - A Combined Solid-State NMR and Ab-Initio Molecular-Orbital Study
Xu T, Barich DH, Torres PD, Nicholas JB, Haw JF
Journal of the American Chemical Society, 119(2), 396, 1997 |
| 7 |
Sum-over-States Density-Functional Perturbation-Theory - Prediction of Reliable C-13, N-15, and O-17 Nuclear-Magnetic-Resonance Chemical-Shifts
Olsson L, Cremer D
Journal of Chemical Physics, 105(20), 8995, 1996 |
