Total found:
References for selected basis
Selected Basis Set: (none)
Description:
Latest Version:
Last Update:
Role:
Family:
Function Types:
Basis Set Notes Family Notes
Download basis set
Advanced
Citation

When publishing results obtained from use of the Basis Set Exchange software, please cite:

  • A New Basis Set Exchange: An Open, Up-to-date Resource for the Molecular Sciences Community Pritchard, Benjamin P. and Altarawy, Doaa and Windus, Theresa L. Manuscript in Preparation

For citing the previous EMSL/PNNL Basis Set Exchange, please cite the following references:

  • The Role of Databases in Support of Computational Chemistry Calculations Feller, D., J. Comp. Chem. 1996, 17(13), 1571-1586.
  • Basis Set Exchange: A Community Database for Computational Sciences Schuchardt, K.L., Didier, B.T., Elsethagen, T., Sun, L., Gurumoorthi, V., Chase, J., Li, J., and Windus, T.L. J. Chem. Inf. Model. 2007, 47(3), 1045-1052, doi:10.1021/ci600510j.