James J. P. Stewart

Publication Activity (10 Years)

Years Active: 1989-2021
Publications (10 Years): 3

Top Topics

Automated Discovery

Digital Information

Chemical Reaction

Scientific Discovery

Top Venues

J. Comput. Chem.

J. Cheminformatics

Publications

Emilio Martínez-Núñez, George L. Barnes, David R. Glowacki, Sabine Kopec, Daniel Peláez, Aurelio Rodríguez, Roberto Rodríguez-Fernández, Robin J. Shannon, James J. P. Stewart, Pablo G. Tahoces, Saulo A. Vázquez
AutoMeKin2021: An open-source program for automated reaction discovery. J. Comput. Chem. 42 (28) (2021)
Aurelio Rodríguez, Roberto Rodríguez-Fernández, Saulo A. Vázquez, George L. Barnes, James J. P. Stewart, Emilio Martínez-Núñez
tsscds2018: A code for automated discovery of chemical reaction mechanisms and solving the kinetics. J. Comput. Chem. 39 (23) (2018)
Matthew J. Harvey, Nicholas J. Mason, Andrew McLean, Peter Murray-Rust, Henry S. Rzepa, James J. P. Stewart
Standards-based curation of a decade-old digital repository dataset of molecular information. J. Cheminformatics 7 (2015)
Gerd Bruno Rocha, Ricardo Oliveira Freire, Alfredo Mayall Simas, James J. P. Stewart
RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I. J. Comput. Chem. 27 (10) (2006)
James J. P. Stewart
Symmetry groups for unit cells in solids. J. Comput. Chem. 19 (2) (1998)
James J. P. Stewart
MOPAC: A semiempirical molecular orbital program. J. Comput. Aided Mol. Des. 4 (1) (1990)
James J. P. Stewart
Example of the advantage of the BFGS geometry optimizer over the DFP. Comput. Chem. 13 (2) (1989)