The DOI matches its Crossref record; 245 of the 245 references it cites were found in a registry or an index.
Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories
Abstract
More than 20 years ago, we published in Chemical Reviews a paper entitled Intermolecular Interactions between Medium-Sized Systems. Nonempirical and Empirical Calculations of Interaction Energy: Successes and Failures. The situation in calculations of noncovalent interactions at that time can be best characterized by the question we posed at the very beginning of the review: Can quantum chemistry describe vdW (van der Waals; today we call it noncovalent) interactions as successfully as covalent interactions? Our answer then was unambiguously yes. We had good reason for an optimistic yes since we presented the first coupledcluster calculations including triple excitations for a (at that time) large complex-the water dimer. We stressed the importance of the triple excitations for noncovalent interactions, and in the section called Prospects, we wrote that significant progress is highly desirable with beyond-SCF methods, where new, more accurate and efficient procedures are developed.
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Cites
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Cited by
Accurate and Efficient Method for Many-Body van der Waals Interactions
Tkatchenko, A., DiStasio, R. A., Car, R., & Scheffler, M. (2012) · Physical Review Letters · doi:10.1103/physrevlett.108.236402 · Cited by 1,528
Nonlocal van der Waals density functional: The simpler the better
Vydrov, O. A., & Van Voorhis, T. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3521275 · Cited by 1,312
S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures
Řezáč, J., Riley, K. E., & Hobza, P. (2011) · Journal of Chemical Theory and Computation · doi:10.1021/ct2002946 · Cited by 1,019
Self-citationPeverati, 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
Computational tools to model halogen bonds in medicinal chemistry.
Ford, M. C., & Ho, P. S. (2016) · Journal of Medicinal Chemistry · doi:10.1021/acs.jmedchem.5b00997 · Cited by 143
Metadata
- Authors
- Riley, K. E., Pitoňák, M., Jurečka, P., & Hobza, P.
- Venue
- Chemical Reviews
- Publisher
- American Chemical Society (ACS)
- Published
- 2010-05-20
- Volume
- 110
- Issue
- 9
- Pages
- 5023-5063
- ISSN
- 0009-2665 (ISSN-L)
- 1520-6890
- OpenAlex
- W1983462489
- Cited by
- 759
- References
- 245
- FWCI
- 7.03
- Type
- journal article
- Language
- en
- Open access
- closed
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- Riley, K. E., Pitoňák, M., Jurečka, P., & Hobza, P. (2010). Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories. Chemical Reviews. https://doi.org/10.1021/cr1000173
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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.
