Rubén H. Contreras

Publication Activity (10 Years)

Years Active: 1995-2001
Publications (10 Years): 0

Publications

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) (2001)
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) (1999)
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) (1998)
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) (1995)