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Journal Articles
- 2001
[j4]Verónica Barone
, Juan E. Peralta, Rubén H. Contreras:
NMR 3J(C1, H3) couplings in 1-X-bicyclo[1.1.1]pentanes. FPT-DFT and NBO studies of hyperconjugative interactions and heavy atom substituent effects. J. Comput. Chem. 22(14): 1615-1621 (2001)- 1999
- [j3]Juan C. Cesco, Claudia C. Denner, Graciela O. Giubergia, Ana E. Rosso, Jorge E. Pérez, F. S. Ortiz, Oscar E. Taurian, Rubén H. Contreras:
Implementation of atomic basis set composed of 1s Gaussian and 1s Slater-type orbitals to carry out quantum mechanics molecular calculations. J. Comput. Chem. 20(6): 604-609 (1999) - 1998
- [j2]C. G. Giribet, M. C. Ruiz de Azúa, S. B. Gómez, E. L. Botek, Rubén H. Contreras, W. Adcock, E. W. Della, A. R. Krstic, I. J. Lochert:
C3(SINGLE BOND)M Bond contribution to polarizability tensor and 3J(C1M) NMR coupling constant in 1-X-3-M-bicyclo[1.1.1]pentanes. J. Comput. Chem. 19(2): 181-188 (1998) - 1995
- [j1]Juan C. Cesco, Claudia C. Denner, Ana E. Rosso, Jorge E. Pérez, F. S. Ortiz, Rubén H. Contreras, C. G. Giribet, M. C. Ruiz de Azúa:
Numerical Evaluation of Three- and Four- Center Bielectronic Integrals Using Exponential- Type Atomic Orbitals. J. Comput. Chem. 16(12): 1507-1512 (1995)
Coauthor Index
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