| 1 |
The Xe-129 nuclear shielding surfaces for Xe interacting with linear molecules CO2, N-2, and CO
deDios AC, Jameson CJ
Journal of Chemical Physics, 107(11), 4253, 1997 |
| 2 |
Chemical shift tensors in peptides: A quantum mechanical study
Walling AE, Pargas RE, deDios AC
Journal of Physical Chemistry A, 101(39), 7299, 1997 |
| 3 |
Electric field effects on C-13 and O-17 chemical shifts and CO stretching frequency of carbon monoxide bound to Fe2+
deDios AC, Earle EM
Journal of Physical Chemistry A, 101(43), 8132, 1997 |
| 4 |
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 |
| 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 |
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 |
| 7 |
Ab-Initio Study of the Effects of Torsion Angles on C-13 Nuclear-Magnetic-Resonance Chemical Shielding in N-Formyl-L-Alanine Amide, N-Formyl-L-Valine Amide, and Some Simple-Model Compounds - Applications to Protein NMR-Spectroscopy
Dedios AC, Oldfield E
Journal of the American Chemical Society, 116(12), 5307, 1994 |
| 8 |
Evaluating F-19 Chemical Shielding in Fluorobenzenes - Implications for Chemical-Shifts in Proteins
Dedios AC, Oldfield E
Journal of the American Chemical Society, 116(16), 7453, 1994 |
| 9 |
Predicting C-13 Nuclear-Magnetic-Resonance Chemical Shielding Tensors in Zwitterionic L-Threonine and L-Tyrosine via Quantum-Chemistry
Dedios AC, Laws DD, Oldfield E
Journal of the American Chemical Society, 116(17), 7784, 1994 |
| 10 |
Chemical-Shifts of Carbonyl Carbons in Peptides and Proteins
Dedios AC, Oldfield E
Journal of the American Chemical Society, 116(25), 11485, 1994 |
