The DOI matches its Crossref record.
The MNDOC method, a correlated version of the MNDO model
Abstract
Explicit inclusion of electron correlation into the MNDO model leads to the semiempirical MNDOC method which is parametrized for the elements H, C, N, and 0. Correlation is treated in MNDOC by second-order Brillouin-Wigner perturbation theory with Epstein-Nesbet energy denominators, although it is shown that configuration interaction approaches can also be applied with the use of unmodified MNDOC parameters. Calculated heats of formation and geometries for closed-shell ground states are of similar accuracy in MNDOC and MNDO which is rationalized by an analysis of the MNDOC correlation effects in these systems.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cited by
Semiempirical quantum–chemical methods
Thiel, W. (2014) · WIREs Computational Molecular Science · doi:10.1002/wcms.1161 · Cited by 353
Self-citationColombo, M., Vallese, S., Peretto, I., Jacq, X., Rain, J., Colland, F., & Guedat, P. (2010) · ChemMedChem · doi:10.1002/cmdc.200900409 · Cited by 113
Metadata
- Authors
- Thiel, W.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 1981-03
- Volume
- 103
- Issue
- 6
- Pages
- 1413-1420
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W1969064467
- Cited by
- 201
- References
- 0
- FWCI
- 4.30
- Type
- journal article
- Language
- en
- Open access
- closed
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: The MNDOC method, a correlated version of the MNDO model. https://app.cochat.ai/papers/10.1021/ja00396a021
- The paper
- Thiel, W. (1981). The MNDOC method, a correlated version of the MNDO model. Journal of the American Chemical Society. https://doi.org/10.1021/ja00396a021
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.
