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Journal Articles
- 2021
[j3]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): 2036-2048 (2021)- 2018
- [j2]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): 1922-1930 (2018) - 2014
- [j1]Upakarasamy Lourderaj, Rui Sun, Swapnil C. Kohale, George L. Barnes, Wibe A. de Jong, Theresa L. Windus, William L. Hase:
The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory. Comput. Phys. Commun. 185(3): 1074-1080 (2014)
Informal and Other Publications
- 2010
- [i1]Srirangam V. Addepallil, Per Andersen, George L. Barnes:
Efficient Resource Matching in Heterogeneous Grid Using Resource Vector. CoRR abs/1006.1177 (2010)
Coauthor Index
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