The DOI matches its Crossref record; 657 of the 657 references it cites were found in a registry or an index.
Density functional theory for transition metals and transition metal chemistry
Abstract
We introduce density functional theory and review recent progress in its application to transition metal chemistry. Topics covered include local, meta, hybrid, hybrid meta, and range-separated functionals, band theory, software, validation tests, and applications to spin states, magnetic exchange coupling, spectra, structure, reactivity, and catalysis, including molecules, clusters, nanoparticles, surfaces, and solids.
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Cites
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Cited by
Grimme, S., Antony, J., Ehrlich, S., & Krieg, H. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3382344 · Cited by 59,686
Kondratenko, E. V., Mul, G., Baltrusaitis, J., Larrazábal, G. O., & Pérez-Ramírez, J. (2013) · Energy & Environmental Science · doi:10.1039/c3ee41272e · Cited by 1,802
B97-3c: A revised low-cost variant of the B97-D density functional method
Brandenburg, J. G., Bannwarth, C., Hansen, A., & Grimme, S. (2018) · The Journal of Chemical Physics · doi:10.1063/1.5012601 · Cited by 760
Elucidating reaction mechanisms on quantum computers
Reiher, M., Wiebe, N., Svore, K. M., Wecker, D., & Troyer, M. (2017) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1619152114 · Cited by 745
Peverati, R., & Truhlar, D. G. (2014) · Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences · doi:10.1098/rsta.2012.0476 · Cited by 734
Self-citation
Metadata
- Authors
- Cramer, C. J., & Truhlar, D. G.
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2009
- Volume
- 11
- Issue
- 46
- Pages
- 10757
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W2102807619
- Cited by
- 1,648
- References
- 657
- FWCI
- 50.19
- Type
- journal article
- Language
- en
- Open access
- closed
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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.
