The DOI matches its Crossref record; 14 of the 14 references it cites were found in a registry or an index.
Basis Set Exchange: A Community Database for Computational Sciences
Abstract
Basis sets are some of the most important input data for computational models in the chemistry, materials, biology, and other science domains that utilize computational quantum mechanics methods. Providing a shared, Web-accessible environment where researchers can not only download basis sets in their required format but browse the data, contribute new basis sets, and ultimately curate and manage the data as a community will facilitate growth of this resource and encourage sharing both data and knowledge. We describe the Basis Set Exchange (BSE), a Web portal that provides advanced browsing and download capabilities, facilities for contributing basis set data, and an environment that incorporates tools to foster development and interaction of communities. The BSE leverages and enables continued development of the basis set library originally assembled at the Environmental Molecular Sciences Laboratory.
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Cites
Dunning, T. H. (1989) · The Journal of Chemical Physics · doi:10.1063/1.456153 · Cited by 31,648
Ditchfield, R., Hehre, W. J., & Pople, J. A. (1971) · The Journal of Chemical Physics · doi:10.1063/1.1674902 · Cited by 10,612
Szabó, A., & Ostlund, N. S. (1982) · Cited by 6,232
The quantum theory of the electron
Dirac, P. A. M. (1928) · Proceedings of the Royal Society of London. Series A, Containing Papers of a Mathematical and Physical Character · doi:10.1098/rspa.1928.0023 · Cited by 3,657
An Undulatory Theory of the Mechanics of Atoms and Molecules
Schrödinger, E. (1926) · Physical Review · doi:10.1103/physrev.28.1049 · Cited by 1,826
Boys, S. F. (1950) · Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences · doi:10.1098/rspa.1950.0036 · Cited by 1,286
New Method for Calculating Wave Functions in Crystals and Molecules
Phillips, J. C., & Kleinman, L. (1959) · Physical Review · doi:10.1103/physrev.116.287 · Cited by 1,233
Gaussian Basis Sets for Molecular Calculations
Dunning, T. H., & Hay, P. J. (1977) · Methods of Electronic Structure Theory · doi:10.1007/978-1-4757-0887-5_1 · Cited by 868
A Theory of Electrons and Protons
Dirac, P. A. M. (1930) · Proceedings of the Royal Society of London Series A Containing Papers of a Mathematical and Physical Character · doi:10.1098/rspa.1930.0013 · Cited by 669
A New Method for Calculating Wave Functions in Crystals
Herring, C. (1940) · Physical Review · doi:10.1103/physrev.57.1169 · Cited by 525
Raffenetti, R. C. (1973) · The Journal of Chemical Physics · doi:10.1063/1.1679007 · Cited by 507
Murray‐Rust, P. (2011) · doi:10.59350/ewypq-vq768 · Cited by 60
A collaborative informatics infrastructure for multi-scale science
Myers, J. D., Allison, T. C., Bittner, S., Didier, B. T., Frenklach, M., Green, W. H., Ho, Y.-L., Hewson, J. C., Koegler, W. S., Lansing, L., et al. (2004) · Challenges of Large Applications in Distributed Environments · doi:10.1109/clade.2004.1309089 · Cited by 45
Self-citationA Collaborative Informatics Infrastructure for Multi-Scale Science
Myers, J. D., Allison, T. C., Bittner, S., Didier, B., Frenklach, M., Green, W. H., Ho, Y.-L., Hewson, J. C., Koegler, W. S., Lansing, C. S., et al. (2005) · Cluster Computing · doi:10.1007/s10586-005-4092-4 · Cited by 33
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New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences Community
Pritchard, B. P., Altarawy, D., Didier, B., Gibson, T. D., & Windus, T. L. (2019) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.9b00725 · Cited by 2,316
Self-citationStructure of Polydopamine: A Never-Ending Story?
Liebscher, J., Mrówczyński, R., Scheidt, H. A., Filip, C., Hădade, N. D., Turcu, R., Bende, A., & Beck, S. (2013) · Langmuir · doi:10.1021/la4020288 · Cited by 1,058
Mardirossian, N., & Head-Gordon, M. (2014) · Physical Chemistry Chemical Physics · doi:10.1039/c3cp54374a · Cited by 986
Kruse, H., & Grimme, S. (2012) · The Journal of Chemical Physics · doi:10.1063/1.3700154 · Cited by 890
Towards quantum chemistry on a quantum computer
Lanyon, B. P., Whitfield, J. D., Gillett, G. G., Goggin, M. E., Almeida, M. P., Kassal, I., Biamonte, J. D., Mohseni, M., Powell, B. J., Barbieri, M., et al. (2010) · Nature Chemistry · doi:10.1038/nchem.483 · Cited by 796
Metadata
- Authors
- Schuchardt, K. L., Didier, B. T., Elsethagen, T., Sun, L., Gurumoorthi, V., Chase, J., Li, J., & Windus, T. L.
- Venue
- Journal of Chemical Information and Modeling
- Publisher
- American Chemical Society (ACS)
- Published
- 2007-04-12
- Volume
- 47
- Issue
- 3
- Pages
- 1045-1052
- ISSN
- 1549-9596 (ISSN-L)
- 1549-960X
- OpenAlex
- W2151220474
- Cited by
- 3,163
- References
- 14
- FWCI
- 54.80
- Type
- journal article
- Language
- en
- Open access
- closed
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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