Výsledky vyhledávání - "Marta, Galynska"

Transferable Potential Function for Flexible H

Autor: Elvar Örn, Jónsson, Soroush, Rasti, Marta, Galynska, Jörg, Meyer, Hannes, Jónsson

Publikováno v: Journal of chemical theory and computation. 18(12)

A potential function is presented for describing a system of flexible H

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::895750853bd9c20052d2be55b89392b5
https://pubmed.ncbi.nlm.nih.gov/36395502

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Transferable potential function for flexible H2O molecules based on the single-center multipole expansion

Autor: Elvar Örn Jónsson, Soroush Rasti, Marta Galynska, Jörg Meyer, Hannes Jónsson

Publikováno v: Journal of Chemical Theory and Computation, 18(12), 7528-7543. American Chemical Society (ACS)

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4dc60af5302740ab8925a07f9069335e
https://hdl.handle.net/1887/3514145

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Localized and Delocalized States of a Diamine Cation: Resolution of a Controversy

Autor: Vilhjálmur Ásgeirsson, Marta Galynska, Ragnar Bjornsson, Hannes Jónsson

Publikováno v: The Journal of Physical Chemistry Letters

Recent Rydberg spectroscopy measurements of a diamine molecule, N,N'-dimethylpiperazine (DMP), indicate the existence of a localized electronic state as well as a delocalized electronic state. This implies that the cation, DMP+, can similarly have it

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c92a06dbfa10efd48a44cd8793766769
https://pubmed.ncbi.nlm.nih.gov/33497225

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