| List of Publications 1997 |
| Experimental
and theoretical study of the ethoxy group conformational effect on 13
C
Chemical shifts in ortho-substituted phenetols D. G. de Kowalewski, V. J. Kowalewski, E. Botek, R. H. Contreras and J. C. Facelli Magn. Reson. Chem., 35, 351-356 (1997) pdf |
| CLOPPA RPA-AM1
analysis of the anisotropy of NMR 1J(XY) coupling tensors in
Me3XY compounds (X = 13C, 29Si, 119S
n,
203Pb;
Y = 19F, 35-Cl) J. A. Gonzalez, G. A. Aucar, M. C. Ruiz de Azúa and R. H. Contreras Int. J. Quantum Chem. 61, 823-833 (1997) pdf |
| Solvent effects on oxygen
-17 chemical
shifts in amides. Quantitative solvation shift relationships E. Díez, J. S. Fabian, I. P. Gerothanassis, A. L. Esteban, J. L. M. Abboud, R. H. Contreras and D. G. de Kowalewski J. Magn. Reson., 124, 8-19 (1997) |
| Ab initio CLOPPA
decomposition of the static molecular polarizability tensor C. G. Giribet, M. D. Demarco, M. C. Ruiz de Azúa and R. H. Contreras Mol. Phys., 91, 105-111 (1997) pdf |
| Study of stereochemical d
ependences
of the direct 13C-1H spin-spin coupling constants
in vinyl pyridines by the quantum chemical INDO-RPA method A. V. Afonin, N. M. Peruchena, L. Sosa and R. H. Contreras Russ. Chem. Bull., 46, 265-267 (1997) |
|
Dependence of geminal 1H-1H and 31P-1H spin-spin coupling constantson the specific intramolecular C-H...X interaction
A. V. Afonin, J. E. Pérez, M. C. Ruiz de Azúa, R. H. Contreras and P. Lazzeretti Russ. Chem. Bull., 46, 292-296 (1997) |
| Topological analysis of C
-H...O
hydrogen bonds G. L. Sosa, N. M. Peruchena, R. H. Contreras and E. A. Castro J. Mol. Struct. Theochem, 401, 77-85 (1997) pdf |
| Influence of the intamole
cular interaction
between polar and a polarizable bonds on the conformational equilibrium
in aryl- and heteroaryl vinyl ethers according to 13C NMR data A. V. Afonin, A. V. Vashchenko and R. H. Contreras Zh. Org. Khim., 33, 1507-1513 (1997) |