The DOI matches its Crossref record; 65 of the 65 references it cites were found in a registry or an index.
Combining solid-state NMR spectroscopy with first-principles calculations – a guide to NMR crystallography
Open accessAbstract
DFT calculations are an important tool in assigning and interpreting NMR spectra of solids: we discuss recent developments and their future potential in the context of NMR crystallography.
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Cites
Generalized Gradient Approximation Made Simple
Perdew, J. P., Burke, K., & Ernzerhof, M. (1996) · Physical Review Letters · doi:10.1103/physrevlett.77.3865 · Cited by 215,824
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Monkhorst, H. J., & Pack, J. D. (1976) · Physical Review B · doi:10.1103/physrevb.13.5188 · Cited by 71,721
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
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Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction
Grimme, S. (2006) · Journal of Computational Chemistry · doi:10.1002/jcc.20495 · Cited by 31,038
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
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First principles methods using CASTEP
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A Chemist's Guide to Density Functional Theory
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Norm-Conserving Pseudopotentials
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Cited by
Review of high entropy ceramics: design, synthesis, structure and properties
Zhang, R.-Z., & Reece, M. J. (2019) · Journal of Materials Chemistry A · doi:10.1039/c9ta05698j · Cited by 760
Metadata
- Authors
- Ashbrook, S. E., & McKay, D.
- Venue
- Chemical Communications
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2016
- Volume
- 52
- Issue
- 45
- Pages
- 7186-7204
- ISSN
- 1359-7345 (ISSN-L)
- 1364-548X
- OpenAlex
- W2337713158
- Cited by
- 283
- References
- 65
- FWCI
- 16.60
- Type
- journal article
- Language
- en
- Open access
- hybrid
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- Ashbrook, S. E., & McKay, D. (2016). Combining solid-state NMR spectroscopy with first-principles calculations – a guide to NMR crystallography. Chemical Communications. https://doi.org/10.1039/c6cc02542k
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
