The DOI matches its Crossref record; 6 of the 6 references it cites were found in a registry or an index.
Molecular Orbital Theoretical Studies of Some Organic Corrosion Inhibitors
Abstract
Molecular orbital theoretical calculations based on the modified neglect of differential overlap (MNDO) method were performed on some substituted methyl pyridines and substituted ethane derivatives in common use as corrosion inhibitors for iron in acid media. New correlations of corrosion rates with the energy of the highest occupied molecular orbital (EHOMO), the energy gap or difference between the lowest unoccupied molecular orbital and the highest occupied molecular orbital (ELUMO – EHOMO), and Hammett’s parameter (s) were presented. Absolute electronegativity (x) values and the fraction of electrons (∆N) transferred from substituted pyridine and ethane compounds to iron in the bulk metal were calculated and correlated with corrosion rates for the first time.
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Citations
Cites
Ground states of molecules. 38. The MNDO method. Approximations and parameters
Dewar, M. J. S., & Thiel, W. (1977) · Journal of the American Chemical Society · doi:10.1021/ja00457a004 · Cited by 5,128
A Rapidly Convergent Descent Method for Minimization
Fletcher, R., & Powell, M. J. D. (1963) · The Computer Journal · doi:10.1093/comjnl/6.2.163 · Cited by 4,583
Absolute electronegativity and hardness: application to inorganic chemistry
Pearson, R. G. (1988) · Inorganic Chemistry · doi:10.1021/ic00277a030 · Cited by 3,475
Introduction to chemical physics
Slater, J. C. (1933) · CERN Document Server (European Organization for Nuclear Research) · Cited by 660
Hine, J. (1960) · Annual Review of Physical Chemistry · doi:10.1146/annurev.pc.11.100160.000433 · Cited by 280
Selection of Corrosion Inhibitors for Use in Sour Media
Sastri, V. S., & Perumareddi, J. R. (1994) · CORROSION · doi:10.5006/1.3293521 · Cited by 53
Self-citation
Cited by
Daoud, D., Douadi, T., Hamani, H., Chafaa, S., & Al-Noaimi, M. (2015) · Corrosion Science · doi:10.1016/j.corsci.2015.01.025 · Cited by 438
Malik, R., Dahiya, S., & lata, S. (2017) · International Journal of Biological Macromolecules · doi:10.1016/j.ijbiomac.2017.01.100 · Cited by 80
Metadata
- Authors
- Sastri, V. S., & Perumareddi, J. R.
- Venue
- Corrosion
- Published
- 1997-08-01
- Volume
- 53
- Issue
- 8
- Pages
- 617-622
- ISSN
- 0010-9312 (ISSN-L)
- 1938-159X
- OpenAlex
- W2059519577
- Cited by
- 632
- References
- 6
- FWCI
- 0.65
- Type
- journal article
- Language
- en
- Open access
- closed
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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.
