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Mendeley readers
| Title |
Electronic Structure of Open-Shell Singlet Molecules: Diradical Character Viewpoint
|
|---|---|
| Published in |
Topics in Current Chemistry, April 2017
|
| DOI | 10.1007/s41061-017-0134-7 |
| Pubmed ID | |
| Authors |
Masayoshi Nakano |
| Abstract |
This chapter theoretically explains the electronic structures of open-shell singlet systems with a wide range of open-shell (diradical) characters. The definition of diradical character and its correlation to the excitation energies, transition properties, and dipole moment differences are described based on the valence configuration interaction scheme using a two-site model with two electrons in two active orbitals. The linear and nonlinear optical properties for various polycyclic aromatic hydrocarbons with open-shell character are also discussed as a function of diradical character. |
Mendeley readers
The data shown below were compiled from readership statistics for 73 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United States | 1 | 1% |
| Unknown | 72 | 99% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 16 | 22% |
| Researcher | 11 | 15% |
| Student > Master | 10 | 14% |
| Student > Bachelor | 9 | 12% |
| Student > Doctoral Student | 5 | 7% |
| Other | 10 | 14% |
| Unknown | 12 | 16% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 45 | 62% |
| Physics and Astronomy | 4 | 5% |
| Chemical Engineering | 3 | 4% |
| Medicine and Dentistry | 3 | 4% |
| Biochemistry, Genetics and Molecular Biology | 2 | 3% |
| Other | 4 | 5% |
| Unknown | 12 | 16% |