How to cite the program

If you use AutoMeKin2021, please cite the following publications:

Martinez-Nunez, E. et al., J. Comput. Chem. 2021, 42, 2036
Martinez-Nunez, E., J. Comput. Chem. 2015, 36, 222
Martinez-Nunez, E., Phys. Chem. Chem. Phys. 2015 , 17 , 14912
MOPAC2016, Version: 21. 129 , James J. P. Stewart, Stewart Computational Chemistry

If you employ , the following publication must be cited:

Garay-Ruiz, D. et al. , APS Phys. Chem. Au 2022, 2, 225

If Entos Qcore is employed, you must cite:

Manby, F. R. et al. , ChemRxiv.7762646 (2019)

If the vdW sampling is employed, you must cite this publication

Kopec, S. et al. Int. J. Quantum Chem. 2019 , 119, e26008

If the BXDE sampling is employed, you must cite the following two publications:

Hjorth Larsen, A. et al. J. Phys. Condens. Matter , 2017 , 29, 273002
Jara-Toro, R. A. et al. ChemSystemsChem 2020 , 2, e1900024

If you publish the statistics of the reaction network, NetworkX python library must be cited:

Hagberg, A. A.; Shult, D. A.; Swart, P. J. In Exploring network structure, dynamics, and function using NetworkX, 7th Python in Science Conference (SciPy2008), Pasadena, CA USA, Varoquaux, G.; Vaught, T.; Millman, J., Eds. Pasadena, CA USA, 2008; pp 11- 15

Finally, if you use the bots reactive event search algorithm, the following reference must be cited:

Hutchings M. et al., J. Chem. Theory Comput. 2020 , 16, 1606