Packing Guidelines for Optimizing Singlet Fission Matrix Elements in Noncovalent Dimers

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F17%3A00482603" target="_blank" >RIV/61388963:_____/17:00482603 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/jacs.7b07963" target="_blank" >http://dx.doi.org/10.1021/jacs.7b07963</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/jacs.7b07963" target="_blank" >10.1021/jacs.7b07963</a>

Result language
angličtina
Original language name
Packing Guidelines for Optimizing Singlet Fission Matrix Elements in Noncovalent Dimers
Original language description
A simplified version of the frontier orbital model for a noncovalent dimer is used to derive guidelines for dimer geometries that maximize the square of the electronic matrix element for singlet fission. The use of the guidelines requires only the knowledge of the highest occupied and lowest unoccupied orbital of the monomer and the overlaps of the atomic orbitals on partner A with those on partner B.
Czech name
—
Czech description
—

Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10403 - Physical chemistry

Project
<a href="/en/project/GA15-19143S" target="_blank" >GA15-19143S: Singlet Fission</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year
2017
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Similar results(10)