Citing and Citations

If you would like to reference ISiCLE in an academic paper,we ask you include the following:

• ISiCLE, version 2.0.0 http://github.com/pnnl/isicle (accessed MMM YYYY)

• Colby, S.M., Thomas, D.G., Nuñez, J.R., Baxter, D.J., Glaesemann, K.R., Brown, J.M., Pirrung, M.A., Govind, N., Teeguarden, J.G., Metz, T.O. and Renslow, R.S., 2019. ISiCLE: A quantum chemistry pipeline for establishing in silico collision cross section libraries. Analytical Chemistry.

• Yesiltepe, Y., Nunez, J.R., Colby, S.M., Thomas, D.G., Borkum, M.I., Reardon, P.N., Washton, N.M., Metz, T.O., Teeguarden, J.T., Govind, N., and Renslow, R.S., 2018. An automated framework for NMR chemical shift calculations of small organic molecules. Journal of Cheminformatics.