| 1 |
Solid-state NMR and density functional investigation of carbon-13 shielding tensors in metal-olefin complexes
Havlin R, McMahon M, Srinivasan R, Le HB, Oldfield E
Journal of Physical Chemistry A, 101(47), 8908, 1997 |
| 2 |
Predicting chemical shifts in proteins: Structure refinement of valine residues by using ab initio and empirical geometry optimizations
Pearson JG, Le HB, Sanders LK, Godbout N, Havlin RH, Oldfield E
Journal of the American Chemical Society, 119(49), 11941, 1997 |
| 3 |
An ab initio quantum chemical investigation of carbon-13 NMR shielding tensors in glycine, alanine, valine, isoleucine, serine, and threonine: Comparisons between helical and sheet tensors, and the effects of (x)(1) on shielding
Havlin RH, Le HB, Laws DD, deDios AC, Oldfield E
Journal of the American Chemical Society, 119(49), 11951, 1997 |
| 4 |
Ab-Initio Studies of Amide-N-15 Chemical-Shifts in Dipeptides - Applications to Protein NMR-Spectroscopy
Le HB, Oldfield E
Journal of Physical Chemistry, 100(40), 16423, 1996 |
| 5 |
Protein-Structure Refinement and Prediction via NMR Chemical-Shifts and Quantum-Chemistry
Le HB, Pearson JG, Dedios AC, Oldfield E
Journal of the American Chemical Society, 117(13), 3800, 1995 |
| 6 |
Protein-Structure Refinement Using C-13 Nuclear-Magnetic-Resonance Spectroscopic Chemical-Shifts and Quantum-Chemistry
Pearson JG, Wang JF, Markley JL, Le HB, Oldfield E
Journal of the American Chemical Society, 117(34), 8823, 1995 |
| 7 |
A Basis Size Dependence Study of C-13 Nuclear-Magnetic-Resonance Spectroscopic Shielding in Alanyl and Valyl Fragments - Toward Protein Shielding Hypersurfaces
Laws DD, Le HB, Dedios AC, Havlin RH, Oldfield E
Journal of the American Chemical Society, 117(37), 9542, 1995 |
