James J. P. Stewart

According to our database, James J. P. Stewart authored at least 7 papers between 1989 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

AutoMeKin2021: An open-source program for automated reaction discovery.

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

J. Comput. Chem., 2021

2018

tsscds2018: A code for automated discovery of chemical reaction mechanisms and solving the kinetics.

Aurelio Rodríguez, Roberto Rodríguez-Fernández, Saulo A. Vázquez, George L. Barnes, James J. P. Stewart, Emilio Martínez-Núñez

J. Comput. Chem., 2018

2015

Standards-based curation of a decade-old digital repository dataset of molecular information.

Matthew J. Harvey, Nicholas J. Mason, Andrew McLean, Peter Murray-Rust, Henry S. Rzepa, James J. P. Stewart

J. Cheminformatics, 2015

2006

RM1: A reparameterization of AM1 for H, C, N, O, P, S, F, Cl, Br, and I.

Gerd Bruno Rocha, Ricardo Oliveira Freire, Alfredo Mayall Simas, James J. P. Stewart

J. Comput. Chem., 2006

1998

Symmetry groups for unit cells in solids.

James J. P. Stewart

J. Comput. Chem., 1998

1990

MOPAC: A semiempirical molecular orbital program.

James J. P. Stewart

J. Comput. Aided Mol. Des., 1990

1989

Example of the advantage of the BFGS geometry optimizer over the DFP.

James J. P. Stewart

Comput. Chem., 1989