| List of Publications 2002 |
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Topological and NBO Analysis of Hydrogen Bonding Interactions Involving C-H...O Bonds G. L. Sosa, N. M. Peruchena, R. H. Contreras and E. A. Castro J. Mol. Structure (Theochem) 577, 219-228 (2002) pdf |
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Theoretical Study of Charge Transfer Interactions in Methanol Adsorbed on Magnesium Oxide M. M. Branda, J. E. Peralta, N. J. Castellani and R. H. Contreras Surface Science 504, 235-243 (2002) pdf |
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Non-Empirical Calculations of NMR Indirect Carbon-Carbon
Coupling Constants: 1. Three-Membered Rings Leonid B. Krivdin, Stephan P. A. Sauer, Juan E. Peralta and Rubén H. Contreras Magn. Reson. Chem. 40, 187-194 (2002) pdf |
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Natural J Coupling (NJC) Analysis of the Electron Lone Pair Effect on NMR Coupli
ngs 2. The Anomeric Effects on 1J(C,H) Couplings and its Dependence o
n Solvent Daniel G. Zaccari, James P. Snyder, Juan E. Peralta, Oscar E. Taurian, Rubén H. Contreras and Verónica Barone Mol. Phys. 100, 705-715 (2002) pdf |
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DFT Calculation of NMR JFF Spin-Spin Coupling Constants in Fluorinated Pyridines Verónica Barone, Juan E. Peralta Rubén H. Contreras and James P. Snyder J. Phys. Chem. A,106,5607-5612 (2002) pdf |
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DFT study of electronic structure of saccharin, thiosaccharin,
and their respective ions:
effects of metal coordination on thiosaccharinate electronic structure. Branda, M. M.; Castellani, N. J.; Tarulli, S. H.; Quinzani, O. V.; Baran, E. J.; Contreras, R. H.. International Journal of Quantum Chemistry, 89(6), 525-534.(2002) pdf |
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On the Capriciousness of the FCCF Karplus Curve. Kurtkaya, Serdar; Barone, Veronica; Peralta, Juan E.; Contreras, Ruben H.; Snyder, James P. Journal of the American Chemical Society, 124(33), 9702-9703.(2002) pdf |