Zobrazeno 1 - 10
of 84
pro vyhledávání: '"Wojciech Rżysko"'
Publikováno v:
Beilstein Journal of Nanotechnology, Vol 11, Iss 1, Pp 884-890 (2020)
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://doaj.org/article/5e1996cd5e09467b85369a5ccd4d782d
Publikováno v:
ACS Omega.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::893955b2a9f7596de048bde055a0ff9b
https://doi.org/10.1021/acsomega.3c01180
https://doi.org/10.1021/acsomega.3c01180
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
The origin of ice slipperiness has been a matter of great controversy for more than a century, but an atomistic understanding of ice friction is still lacking. Here, we perform computer simulations of an atomically smooth substrate sliding on ice. Ou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9a3a98320915cd5de4eeffaa07010a39
http://arxiv.org/abs/2206.01313
http://arxiv.org/abs/2206.01313
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
With an ever-increasing interest in water properties, many intermolecular force fields have been proposed to describe the behavior of water. Unfortunately, good models for liquid water usually cannot provide simultaneously an accurate melting point f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f909c58dc9369818c5287c817c8edbab