The DOI matches its Crossref record; 9 of the 9 references it cites were found in a registry or an index.
A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions
Open accessAbstract
We present the updated and extended GMTKN55 benchmark database for more accurate and extensive energetic evaluation of density functionals and other electronic structure methods with detailed guidelines for method users.
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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
Density-functional thermochemistry. III. The role of exact exchange
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464913 · Cited by 103,767
Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B · doi:10.1103/physrevb.37.785 · Cited by 100,874
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
Effect of the damping function in dispersion corrected density functional theory
Grimme, S., Ehrlich, S., & Goerigk, L. (2011) · Journal of Computational Chemistry · doi:10.1002/jcc.21759 · Cited by 28,221
Self-citationA new mixing of Hartree–Fock and local density-functional theories
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464304 · Cited by 16,515
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
Chai, J.-D., & Head-Gordon, M. (2008) · Physical Chemistry Chemical Physics · doi:10.1039/b810189b · Cited by 14,648
Mardirossian, N., & Head-Gordon, M. (2017) · Molecular Physics · doi:10.1080/00268976.2017.1333644 · Cited by 2,307
Molnar, L. F., He, X., Wang, B., & Merz, K. M. (2009) · The Journal of Chemical Physics · doi:10.1063/1.3173809 · Cited by 123
Cited by
Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems
Keith, J. A., Vassilev-Galindo, V., Cheng, B., Chmiela, S., Gastegger, M., Müller, K.-R., & Tkatchenko, A. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00107 · Cited by 849
Najibi, A., & Goerigk, L. (2018) · Journal of Chemical Theory and Computation · doi:10.1021/acs.jctc.8b00842 · Cited by 320
Self-citationQuantum computational quantification of protein–ligand interactions
Kirsopp, J. J. M., Di Paola, C., Manrique, D. Z., Krompiec, M., Greene‐Diniz, G., Guba, W., Meyder, A., Wolf, D., Strahm, M., & Muñoz Ramo, D. (2022) · International Journal of Quantum Chemistry · doi:10.1002/qua.26975 · Cited by 59
RetractedDuan, C., Chen, S., Taylor, M. G., Liu, F., & Kulik, H. J. (2021) · Chemical Science · doi:10.1039/d1sc03701c · Cited by 40
Molecule‐Specific Uncertainty Quantification in Quantum Chemical Studies
Reiher, M. (2022) · Israel Journal of Chemistry · doi:10.1002/ijch.202100101 · Cited by 29
Boettger, J. D., & Kubicki, J. D. (2021) · Geochimica et Cosmochimica Acta · doi:10.1016/j.gca.2020.09.019 · Cited by 20
CO 2 on Graphene: Benchmarking Computational Approaches to Noncovalent Interactions
Ehlert, C., Piras, A., & Gryn’ova, G. (2023) · ACS Omega · doi:10.1021/acsomega.3c03251 · Cited by 15
Metadata
- Authors
- Goerigk, L., Hansen, A., Bauer, C., Ehrlich, S., Najibi, A., & Grimme, S.
- Venue
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2017
- Volume
- 19
- Issue
- 48
- Pages
- 32184-32215
- ISSN
- 1463-9076 (ISSN-L)
- 1463-9084
- OpenAlex
- W2766033847
- Cited by
- 1,894
- References
- 9
- FWCI
- 64.87
- Type
- journal article
- Language
- en
- Open access
- hybrid
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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.
