Density functional investigation of intermolecular effects on 13C NMR chemical-shielding tensors modeled with molecular clusters

Author:

Holmes Sean T.1,Iuliucci Robbie J.2,Mueller Karl T.34,Dybowski Cecil1

Affiliation:

1. Department of Chemistry and Biochemistry, University of Delaware, Newark, Delaware 19716, USA

2. Department of Chemistry, Washington and Jefferson College, Washington, Pennsylvania 15301, USA

3. Department of Chemistry, Pennsylvania State University, University Park, Pennsylvania 16802, USA

4. Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, USA

Funder

National Science Foundation (NSF)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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