The DOI matches its Crossref record; 25 of the 25 references it cites were found in a registry or an index.
Donor–Acceptor Properties of Ligands from the Natural Orbitals for Chemical Valence
Open accessAbstract
Natural orbitals for chemical valence (NOCV) have been used to characterize donor–acceptor properties of ligands in model nickel(II) complexes. NOCV allows for separation of ligand → metal and metal → ligand electron transfer processes (Dewar–Chatt–Duncanson model). Bonding between the ligand X = CN −, PH 3, NH 3, C 2 H 4, CO, CS, N 2, NO + and the metal-containing fragment in the [Ni L 3 ] 2+ complexes (L = NH 3, CO) have been discussed. For both σ-donation and π-back-bonding, the resulting orders of ligands are in a qualitative agreement with those commonly accepted. However, it was also demonstrated that the influence of the metal-containing fragment can be substantial, changing the relative donor–acceptor characteristics of different ligands.
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
Cites
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
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
Perdew, J. P. (1986) · Physical Review B · doi:10.1103/physrevb.33.8822 · Cited by 18,777
Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
Reed, A. E., Curtiss, L. A., & Weinhold, F. (1988) · Chemical Reviews · doi:10.1021/cr00088a005 · Cited by 17,359
(1999) · Choice Reviews Online · doi:10.5860/choice.37-0940 · Cited by 14,314
te Velde, G., Bickelhaupt, F. M., Baerends, E. J., Fonseca Guerra, C., van Gisbergen, S. J. A., Snijders, J. G., & Ziegler, T. (2001) · Journal of Computational Chemistry · doi:10.1002/jcc.1056 · Cited by 10,152
Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure
Baerends, E. J., Ellis, D. E., & Ros, P. (1973) · Chemical Physics · doi:10.1016/0301-0104(73)80059-x · Cited by 3,153
Perdew, J. P. (1986) · Physical Review B · doi:10.1103/physrevb.34.7406 · Cited by 2,785
Morokuma, K. (1971) · The Journal of Chemical Physics · doi:10.1063/1.1676210 · Cited by 1,900
Numerical integration for polyatomic systems
te Velde, G., & Baerends, E. J. (1992) · Journal of Computational Physics · doi:10.1016/0021-9991(92)90277-6 · Cited by 1,797
Chatt, J., & Duncanson, L. A. (1953) · Journal of the Chemical Society (Resumed) · doi:10.1039/jr9530002939 · Cited by 1,714
Cited by
Computational Ligand Descriptors for Catalyst Design
Durand, D. J., & Fey, N. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00588 · Cited by 406
Metadata
- Authors
- Mitoraj, M., & Michalak, A.
- Venue
- Organometallics
- Publisher
- American Chemical Society (ACS)
- Published
- 2007-10-26
- Volume
- 26
- Issue
- 26
- Pages
- 6576-6580
- ISSN
- 0276-7333 (ISSN-L)
- 1520-6041
- OpenAlex
- W2075909617
- Cited by
- 507
- References
- 25
- FWCI
- 3.75
- Type
- journal article
- Language
- en
- Open access
- green
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
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.
