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Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
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In the last decade, recent synthetic advances have launched carbon-based π-conjugated hoops to the forefront of theoretical and experimental nvestigation not only for their potential use as bottom-up templates for carbon nanotube (CNT) growth, but a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f787bfb71eb766f701f4b101fc8ecd1
http://pubs.rsc.org/en/Content/ArticleLanding/2017/CP/C7CP00094D
http://pubs.rsc.org/en/Content/ArticleLanding/2017/CP/C7CP00094D
The simulation of nonadiabatic dynamics in extended molecular systems involving hundreds of atoms and large densities of states is particularly challenging. Nonadiabatic coupling terms (NACTs) represent a significant numerical bottleneck in surface h
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b88ba864ca4e15c6fe69ec40bcaf85e7
https://www.sciencedirect.com/science/article/pii/S0301010416301914
https://www.sciencedirect.com/science/article/pii/S0301010416301914
Autor:
Sergei Tretiak, Sebastian Fernandez-Alberti, Sevnur Kömürlü, Valeria D. Kleiman, D. Ondarse-Alvarez, Gustavo Pierdominici-Sottile, Adrian E. Roitberg
Publikováno v:
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
Dendrimers are arrays of coupled chromophores, where the energy of each unit depends on its structure and conformation. The light harvesting and energy funneling properties are strongly dependent on their highly branched conjugated architecture. Here
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::38385073aaf2ca838e30a4317b8f5585
https://pubs.rsc.org/en/Content/ArticleLanding/2016/CP/C6CP04448D
https://pubs.rsc.org/en/Content/ArticleLanding/2016/CP/C6CP04448D
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