Publication - Journal Article An automated framework for NMR chemical shift calculations of small organic molecules

Journal of Cheminformatics, vol. 10, iss. 1, 2018

Yasemin Yesiltepe, Jamie R. Nuñez, Sean M. Colby, Dennis G. Thomas, Mark I. Borkum, Patrick N. Reardon, Nancy M. Washton, Thomas O. Metz, Justin G. Teeguarden, Niranjan Govind, Ryan S. Renslow