Juan E. Peralta

Publication Activity (10 Years)

Years Active: 2001-2019
Publications (10 Years): 2

Top Topics

Automatically Generating

Fourier Descriptors

Semantic Interpretation

Top Venues

J. Comput. Chem.

Publications

Kai Trepte, Sebastian Schwalbe, Torsten Hahn, Jens Kortus, Der-You Kao, Yoh Yamamoto, Tunna Baruah, Rajendra R. Zope, Kushantha P. K. Withanage, Juan E. Peralta, Koblar A. Jackson
Analytic atomic gradients in the fermi-löwdin orbital self-interaction correction. J. Comput. Chem. 40 (6) (2019)
Sebastian Schwalbe, Kai Trepte, Lenz Fiedler, Alex I. Johnson, Jakob Kraus, Torsten Hahn, Juan E. Peralta, Koblar A. Jackson, Jens Kortus
Interpretation and Automatic Generation of Fermi-Orbital Descriptors. J. Comput. Chem. 40 (32) (2019)
Lindsay E. Roy, Tomasz Durakiewicz, Richard L. Martin, Juan E. Peralta, Gustavo E. Scuseria, Cliff G. Olson, John J. Joyce, Ela Guziewicz
: A comparison of photoemission spectroscopy and screened hybrid density functional theory. J. Comput. Chem. 29 (13) (2008)
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)