Efficiently Capturing Weak Interactions in ab Initio Molecular Dynamics with on-the-Fly Basis Set Extrapolation
- Award ID(s):
- 1665336
- Publication Date:
- NSF-PAR ID:
- 10095317
- Journal Name:
- Journal of Chemical Theory and Computation
- Volume:
- 14
- Issue:
- 11
- Page Range or eLocation-ID:
- 5535 to 5552
- ISSN:
- 1549-9618
- Sponsoring Org:
- National Science Foundation
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Accepted Manuscript1.0
- Publisher's Version of Record
- https://doi.org/10.1021/acs.jctc.8b00803
