Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Esko, Makkonen"'
Publikováno v:
Journal of Chemical Theory and Computation
Funding Information: This work was supported by the Academy of Finland (project numbers 308647, 314298, and 316601) and through their Flagship program: Finnish Center for Artificial Intelligence FCAI. We thank CSC, the Finnish IT Center for Science,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2e3bb531489b2add850d617e2aed962
http://europepmc.org/articles/PMC8023666
http://europepmc.org/articles/PMC8023666
Publikováno v:
Chemical science, Vol. 12, No 27 (2021) pp. 9413-9419
Chemical Science
Chemical Science
Monolayer protected metal clusters are dynamic nanoscale objects. For example, the chiral Au38(2-PET)24 cluster (2-PET: 2-phenylethylthiolate) racemizes at moderate temperature. In addition, ligands and metal atoms can easily exchange between cluster
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::61ac342927fa27a1b3e98688d5a8763a
https://aaltodoc.aalto.fi/handle/123456789/108934
https://aaltodoc.aalto.fi/handle/123456789/108934
Autor:
Esko, Makkonen, Tuomas P, Rossi, Ask Hjorth, Larsen, Olga, Lopez-Acevedo, Patrick, Rinke, Mikael, Kuisma, Xi, Chen
Publikováno v:
The Journal of chemical physics. 154(11)
Electronic circular dichroism (ECD) is a powerful spectroscopy method for investigating chiral properties at the molecular level. ECD calculations with the commonly used linear-response time-dependent density functional theory (LR-TDDFT) framework ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::9e548e9155bfc97c16ec898b212d36f6
https://pubmed.ncbi.nlm.nih.gov/33752382
https://pubmed.ncbi.nlm.nih.gov/33752382
Publikováno v:
The Journal of Physical Chemistry Letters. 9:4789-4794
Recent experimental duplexes of DNA stabilized by Ag cations, pairing homostrands of guanine–guanine, cytosine–cytosine, adenine–thymine, and thymine–thymine, display much higher stability than the Watson–Crick paired DNA duplexes; these br
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::20b97e2f70d62d90c93869495b909585
https://doi.org/10.1021/acs.jpclett.8b01908
https://doi.org/10.1021/acs.jpclett.8b01908
Publikováno v:
International Journal of Molecular Sciences
Volume 19
Issue 8
International Journal of Molecular Sciences, Vol 19, Iss 8, p 2346 (2018)
Volume 19
Issue 8
International Journal of Molecular Sciences, Vol 19, Iss 8, p 2346 (2018)
We report a combined quantum mechanics/molecular mechanics (QM/MM) molecular dynamics and time-dependent density functional (TDDFT) study of metal-mediated deoxyribonucleic acid (M-DNA) nanostructures. For the Ag + -mediated guanine tetramer, we foun
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c5441804e03934d3f9e18b163e3cc147