The DOI matches its Crossref record; 11 of the 11 references it cites were found in a registry or an index.
Electrophilicity-Based Charge Transfer Descriptor
Abstract
In line with the charge transfer (DeltaNmax = -mu/eta) proposed by Parr et al. (Parr, R. G.; Szentpály, L. V.; Liu, S. J. Am. Chem. Soc. 1999, 121, 1922), we propose an electrophilicity-based charge transfer (ECT) descriptor in this paper and validate it through the interaction between a series of chlorophenols and DNA bases. Application of ECT can be extended to the interaction of any toxin with the biosystem.
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Cites
Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B · doi:10.1103/physrevb.37.785 · Cited by 100,874
Density-functional exchange-energy approximation with correct asymptotic behavior
Becke, A. D. (1988) · Physical Review A · doi:10.1103/physreva.38.3098 · Cited by 53,711
The influence of polarization functions on molecular orbital hydrogenation energies
Hariharan, P. C., & Pople, J. A. (1973) · Theoretica Chimica Acta · doi:10.1007/bf00533485 · Cited by 15,816
Density-functional theory of atoms and molecules
Patterson, J. D. (1989) · Annals of Nuclear Energy · doi:10.1016/0306-4549(89)90016-9 · Cited by 12,545
Density Functional Theory of Atoms and Molecules
Parr, R. G. (1980) · Horizons of Quantum Chemistry · doi:10.1007/978-94-009-9027-2_2 · Cited by 11,964
Absolute hardness: companion parameter to absolute electronegativity
Parr, R. G., & Pearson, R. G. (1983) · Journal of the American Chemical Society · doi:10.1021/ja00364a005 · Cited by 7,910
Parr, R. G., Szentpály, L. V., & Liu, S. (1999) · Journal of the American Chemical Society · doi:10.1021/ja983494x · Cited by 7,465
Conceptual Density Functional Theory
Geerlings, P., De Proft, F., & Langenaeker, W. (2003) · Chemical Reviews · doi:10.1021/cr990029p · Cited by 5,296
Chattaraj, P. K., Sarkar, U., & Roy, D. R. (2006) · Chemical Reviews · doi:10.1021/cr040109f · Cited by 1,670
Self-citationMaynard, A. T., Huang, M., Rice, W. G., & Covell, D. G. (1998) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.95.20.11578 · Cited by 370
Molecular Structure, Reactivity, and Toxicity of the Complete Series of Chlorinated Benzenes
Padmanabhan, J., Parthasarathi, R., Subramanian, V., & Chattaraj, P. K. (2005) · The Journal of Physical Chemistry A · doi:10.1021/jp0538621 · Cited by 55
Self-citation
Metadata
- Authors
- Padmanabhan, J., Parthasarathi, R., Subramanian, V., & Chattaraj, P. K.
- Venue
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Published
- 2007-01-27
- Volume
- 111
- Issue
- 7
- Pages
- 1358-1361
- ISSN
- 1089-5639 (ISSN-L)
- 1520-5215
- OpenAlex
- W2035019555
- Cited by
- 586
- References
- 11
- FWCI
- 3.46
- 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).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
