APA (7th ed.) Citation

Ziogos, O. G., Kubas, A., Futera, Z., Xie, W., Elstner, M., & Blumberger, J. (2021). HAB79: A new molecular dataset for benchmarking DFT and DFTB electronic couplings against high-level ab initio calculations. Journal of Chemical Physics, 155(23), 1. https://doi.org/10.1063/5.0076010

Chicago Style (17th ed.) Citation

Ziogos, Orestis George, Adam Kubas, Zdenek Futera, Weiwei Xie, Marcus Elstner, and Jochen Blumberger. "HAB79: A New Molecular Dataset for Benchmarking DFT and DFTB Electronic Couplings Against High-level Ab Initio Calculations." Journal of Chemical Physics 155, no. 23 (2021): 1. https://doi.org/10.1063/5.0076010.

MLA (9th ed.) Citation

Ziogos, Orestis George, et al. "HAB79: A New Molecular Dataset for Benchmarking DFT and DFTB Electronic Couplings Against High-level Ab Initio Calculations." Journal of Chemical Physics, vol. 155, no. 23, 2021, p. 1, https://doi.org/10.1063/5.0076010.