Zobrazeno 1 - 10
of 198
pro vyhledávání: '"Ł. Baran"'
Publikováno v:
Condensed Matter Physics, p 33401 (2021)
We have performed an extensive constant temperature Molecular Dynamics study of two-dimensional systems involving Janus dumbbells and spherical particles. Janus dumbbells have been modelled as two spheres, labeled 1 and 2, joined together via harmoni
Externí odkaz:
https://doaj.org/article/d9da95839375404d8daf245d0d3ed5de
Autor:
Ł. Baran
Publikováno v:
ACS Omega, Vol 6, Iss 39, Pp 25193-25200 (2021)
ACS Omega
ACS Omega
We use coarse-grained molecular dynamics simulations to investigate the phase behavior of binary mixtures of di-substituted polyphenyl-like compounds and metal atoms of different sizes. We have estimated the possible on-surface behavior that could be
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b52a153249a1be4486105acdd3ad0ab
https://doi.org/10.1021/acsomega.1c02857
https://doi.org/10.1021/acsomega.1c02857
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.
Publikováno v:
Molecular Systems Design & Engineering. 6:805-816
In this study, we have performed extensive coarse-grained molecular dynamics simulations of the self-assembly of tetra-substituted molecules. We have found that such molecules are able to form a variety of structures, depending on the parameters of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aeff591c123e40f32df7b00fdaa4fb82
https://doi.org/10.1039/d1me00068c
https://doi.org/10.1039/d1me00068c
Publikováno v:
CrystEngComm. 23:2683-2694
A specially designed new compound, 5,5′-bis(4-hydroxyphenyl)-2,2′-dihydroxy-1,1′-biphenyl, can crystallize in different crystallographic systems. The molecule adopts the C-conformation for the torsion angle of around 60° and the T-conformation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::725e85a3e92703383f0cdae2dc4d9317
https://doi.org/10.1039/d0ce01673j
https://doi.org/10.1039/d0ce01673j
Publikováno v:
The Journal of Physical Chemistry C. 124:20101-20108
We use molecular dynamics simulations to investigate the behavior of multivalent molecules in a single-component system and in binary mixtures in various compositions. In this study, we have found ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0c3c6d37c328d055d096fab77f8fbf47
https://doi.org/10.1021/acs.jpcc.0c05137
https://doi.org/10.1021/acs.jpcc.0c05137
Publikováno v:
The Journal of Physical Chemistry C. 124:17556-17565
We use Monte Carlo simulations to investigate the behavior of Janus spheres confined between two parallel surfaces. Janus particles are composed of attractive and repulsive parts. The slits with id...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1ba5a9f6da62aab87f39021ae87587e1
https://doi.org/10.1021/acs.jpcc.0c03214
https://doi.org/10.1021/acs.jpcc.0c03214
Publikováno v:
Beilstein Journal of Nanotechnology, Vol 11, Iss 1, Pp 884-890 (2020)
Beilstein Journal of Nanotechnology
Beilstein Journal of Nanotechnology
We introduce a molecular dynamics (MD) coarse-grained model for the description of tripod building blocks. This model has been used by us already for linear, V-shape, and tetratopic molecules. We wanted to further extend its possibilities to trifunct
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9801290e379279821ca59fa93220d4d3
https://doi.org/10.3762/bjnano.11.73
https://doi.org/10.3762/bjnano.11.73
Autor:
Ł. Baran, Wojciech Rżysko
Publikováno v:
Molecular Systems Design & Engineering. 5:484-492
We introduce a coarse-grained model, which allows us to understand the self-assembly behavior of complex chemical compounds on solid surfaces. It has been shown that such a simplified approach can be used for various molecular architectures, such as
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ebbe6da86ee20ce048ca041e84613ab
https://doi.org/10.1039/c9me00122k
https://doi.org/10.1039/c9me00122k
Akademický článek
Tento výsledek nelze pro nepřihlášené uživatele zobrazit.
K zobrazení výsledku je třeba se přihlásit.
K zobrazení výsledku je třeba se přihlásit.