The DOI matches its Crossref record; 9 of the 9 references it cites were found in a registry or an index.
The ONIOM Method and Its Applications
Open accessAbstract
The fields of theoretical and computational chemistry have come a long way since their inception in the mid-20th century. Fifty years ago, only rudimentary approximations for very simple molecules could be performed. Thanks in part to the ongoing development of very fast computers, and the efforts of theoretical chemists in developing fast and accurate quantum mechanical (QM) methods for calculating electronic energies of atoms and molecules, theoretical and computational chemistry can now give reliable geometries, energies, reactivities, and electronic properties for molecules. Such information has become indispensable in understanding and explaining experimental results that would be otherwise difficult to interpret.
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Citations
Cites
Electric Field Effect in Atomically Thin Carbon Films
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Density functional theory with London dispersion corrections
Grimme, S. (2011) · WIREs Computational Molecular Science · doi:10.1002/wcms.30 · Cited by 2,829
Noncovalent sidewall functionalization of single-walled carbon nanotubes for protein immobilization
Chen, R. J., Zhang, Y., Wang, D., & Dai, H. (2001) · Journal of the American Chemical Society · doi:10.1021/ja010172b · Cited by 2,534
The high-throughput highway to computational materials design
Curtarolo, S., Hart, G. L. W., Nardelli, M. B., Mingo, N., Sanvito, S., & Levy, O. (2013) · Nature Materials · doi:10.1038/nmat3568 · Cited by 2,053
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Multiscale Modeling of Biological Functions: From Enzymes to Molecular Machines (Nobel Lecture)
Warshel, A. (2014) · Angewandte Chemie International Edition · doi:10.1002/anie.201403689 · Cited by 245
A conical intersection model to explain aggregation induced emission in diphenyl dibenzofulvene
Li, Q., & Blancafort, L. (2013) · Chemical Communications · doi:10.1039/c3cc41730a · Cited by 201
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Cited by
In silico methods and tools for drug discovery
Shaker, B., Ahmad, S., Lee, J., Jung, C., & Na, D. (2021) · Computers in Biology and Medicine · doi:10.1016/j.compbiomed.2021.104851 · Cited by 607
CREST—A program for the exploration of low-energy molecular chemical space
Pracht, P., Grimme, S., Bannwarth, C., Bohle, F., Ehlert, S., Feldmann, G., Gorges, J., Müller, M., Neudecker, T., Plett, C., et al. (2024) · The Journal of Chemical Physics · doi:10.1063/5.0197592 · Cited by 574
Dye-sensitized solar cells strike back
Muñoz-García, A. B., Benesperi, I., Boschloo, G., Concepcion, J. J., Delcamp, J. H., Gibson, E. A., Meyer, G. J., Pavone, M., Pettersson, H., Hagfeldt, A., et al. (2021) · Chemical Society Reviews · doi:10.1039/d0cs01336f · Cited by 544
Improta, R., Santoro, F., & Blancafort, L. (2016) · Chemical Reviews · doi:10.1021/acs.chemrev.5b00444 · Cited by 499
Computational Approach to Molecular Catalysis by 3d Transition Metals: Challenges and Opportunities
Vogiatzis, K. D., Polynski, M. V., Kirkland, J. K., Townsend, J., Hashemi, A., Liu, C., & Pidko, E. A. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00361 · Cited by 423
Metadata
- Authors
- Chung, L. W., Sameera, W. M. C., Ramozzi, R., Page, A. J., Hatanaka, M., Petrova, G. P., Harris, T. V., Li, X., Ke, Z., Liu, F., Li, H.-B., Ding, L., & Morokuma, K.
- Venue
- Chemical Reviews
- Publisher
- American Chemical Society (ACS)
- Published
- 2015-04-08
- Volume
- 115
- Issue
- 12
- Pages
- 5678-5796
- ISSN
- 0009-2665 (ISSN-L)
- 1520-6890
- OpenAlex
- W2069924395
- Cited by
- 1,321
- References
- 9
- FWCI
- 4.39
- Type
- journal article
- Language
- en
- Open access
- hybrid
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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.
