The DOI matches its Crossref record; 96 of the 96 references it cites were found in a registry or an index.
Introducing DDEC6 atomic population analysis: part 3. Comprehensive method to compute bond orders
Open accessAbstract
A new method to compute accurate bond orders for metallic, covalent, polar-covalent, ionic, multi-centered, aromatic, dative, dispersion, and hydrogen bonding.
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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
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
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
Projector augmented-wave method
Blöchl, P. E. (1994) · Physical Review B · doi:10.1103/physrevb.50.17953 · Cited by 92,732
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Grimme, S., Antony, J., Ehrlich, S., & Krieg, H. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3382344 · Cited by 59,686
Hohenberg, P., & Kohn, W. (1964) · Physical Review · doi:10.1103/physrev.136.b864 · Cited by 53,541
Multiwfn: A multifunctional wavefunction analyzer
Lu, T., & Chen, F. (2012) · Journal of Computational Chemistry · doi:10.1002/jcc.22885 · Cited by 45,371
Stephens, P. J., Devlin, F. J., Chabalowski, C. F., & Frisch, M. J. (1994) · The Journal of Physical Chemistry · doi:10.1021/j100096a001 · Cited by 23,248
Perdew, J. P., Chevary, J. A., Vosko, S. H., Jackson, K. A., Pederson, M. R., Singh, D. J., & Fiolhais, C. (1992) · Physical Review B · doi:10.1103/physrevb.46.6671 · Cited by 22,269
Cited by
Rosen, A. S., Iyer, S. M., Ray, D., Yao, Z., Aspuru-Guzik, A., Gagliardi, L., Notestein, J. M., & Snurr, R. Q. (2021) · Matter · doi:10.1016/j.matt.2021.02.015 · Cited by 538
Metadata
- Authors
- Manz, T. A.
- Venue
- RSC Adv.
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2017
- Volume
- 7
- Issue
- 72
- Pages
- 45552-45581
- ISSN
- 2046-2069 (ISSN-L)
- OpenAlex
- W2759429866
- Cited by
- 511
- References
- 96
- FWCI
- 16.32
- Type
- journal article
- Language
- en
- Open access
- gold
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- The paper
- Manz, T. A. (2017). Introducing DDEC6 atomic population analysis: part 3. Comprehensive method to compute bond orders. RSC Adv. https://doi.org/10.1039/c7ra07400j
Data sources
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.
