| Title |
AM1* parameters for copper and zinc
|
|---|---|
| Published in |
Journal of Molecular Modeling, June 2007
|
| DOI | 10.1007/s00894-007-0214-7 |
| Pubmed ID | |
| Authors |
Hakan Kayi, Timothy Clark |
| Abstract |
Our extension of the AM1 semiempirical molecular orbital technique, AM1*, has been parameterized for the elements Cu and Zn. The basis sets for both metals contain a set of d-orbitals. The zinc parameterization uses a filled d-shell to give 12 valence electrons. Thus, AM1* parameters are now available for H, C, N, O and F (which use the original AM1 parameters), Al, Si, P, S, Cl, Ti, Cu, Zn, Zr and Mo. The performance and typical errors of AM1* are discussed for the newly parameterized elements. |
Mendeley readers
The data shown below were compiled from readership statistics for 30 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Germany | 1 | 3% |
| Turkey | 1 | 3% |
| Brazil | 1 | 3% |
| Slovakia | 1 | 3% |
| Canada | 1 | 3% |
| Unknown | 25 | 83% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Researcher | 8 | 27% |
| Student > Ph. D. Student | 5 | 17% |
| Professor > Associate Professor | 5 | 17% |
| Student > Doctoral Student | 2 | 7% |
| Other | 2 | 7% |
| Other | 5 | 17% |
| Unknown | 3 | 10% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 17 | 57% |
| Biochemistry, Genetics and Molecular Biology | 2 | 7% |
| Agricultural and Biological Sciences | 2 | 7% |
| Physics and Astronomy | 2 | 7% |
| Computer Science | 1 | 3% |
| Other | 2 | 7% |
| Unknown | 4 | 13% |
Attention Score in Context
This research output has an Altmetric Attention Score of 9. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 28 September 2021.
All research outputs
#3,732,105
of 22,789,076 outputs
Outputs from Journal of Molecular Modeling
#55
of 813 outputs
Outputs of similar age
#10,697
of 69,715 outputs
Outputs of similar age from Journal of Molecular Modeling
#1
of 3 outputs
Altmetric has tracked 22,789,076 research outputs across all sources so far. Compared to these this one has done well and is in the 83rd percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 813 research outputs from this source. They receive a mean Attention Score of 2.7. This one has done particularly well, scoring higher than 92% of its peers.
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We're also able to compare this research output to 3 others from the same source and published within six weeks on either side of this one. This one has scored higher than all of them