Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Polina Pine"'
Autor:
Polina Pine, Liudmila Ivanovna Paina
Publikováno v:
Computing in Science & Engineering. 22:45-49
One of the most important skills for a biochemist these days is to be able to visualize a protein, find a ligand binding site, and show the three-dimensional interactions with the coordinated amino acid residues. It is important to educate a modern s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4484ad4ab674aca92c41fd47d3dfb71b
https://doi.org/10.1109/mcse.2019.2962118
https://doi.org/10.1109/mcse.2019.2962118
The spatial volume occupied by an atom depends on its electronic density. Although this density can only be evaluated exactly for hydrogen-like atoms, there are many excellent algorithms and packages to calculate it numerically for other materials. T
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8da2d4ecfdf118cf1bbecd1a631989f7
https://publica.fraunhofer.de/handle/publica/240860
https://publica.fraunhofer.de/handle/publica/240860
Publikováno v:
Physical Review B. 89
The first four flexural vibrational modes of single-walled carbon nanotubes (SWCNTs) of various lengths under different axial strains were studied using atomistic molecular dynamics within the framework of the Brenner interatomic potential and Fourie
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c76dcad4ef79ac373d27dfb1c9cd5a35
https://doi.org/10.1103/physrevb.89.115405
https://doi.org/10.1103/physrevb.89.115405
Autor:
Joan Adler, Polina Pine
Publikováno v:
Computer Physics Communications. 180:580-582
Carbon takes many different forms, each with its own electronic structure and has a fantastic range of properties. As well as graphite/diamond, a hexagonal diamond called londsdaleite, and amorphous carbons of sp 2 , sp 3 and mixed natures there are
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::382584d04aaaa90db77a0e21f55ae3d3
https://doi.org/10.1016/j.cpc.2008.12.014
https://doi.org/10.1016/j.cpc.2008.12.014
Publikováno v:
Physical Review B. 84
Zigzag, armchair, and different types of chiral single-walled carbon nanotubes (SWCNTs) have distinct structures, due to different wrapping vectors of the underlying graphene sheets. The electronic properties depend on their structure, but this is le
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0102ce63da0cdbdcb6f8ebc310f6320e
https://doi.org/10.1103/physrevb.84.245409
https://doi.org/10.1103/physrevb.84.245409
Publikováno v:
Physical Review B. 83
The first four flexural thermal vibrational modes of single-walled carbon nanotubes (SWCNTs) of various lengths and radii were studied using atomistic molecular dynamics within the framework of the Brenner interatomic potential and Fourier analysis.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fd4e89993a9fa11ce691843e0c1e9459
https://doi.org/10.1103/physrevb.83.155410
https://doi.org/10.1103/physrevb.83.155410
Publikováno v:
Journal of Physics: Conference Series. 402:012002
The potential of single-walled carbon nanotubes as mass sensors is examined. The change in mass leads to proportional changes in the nanotube vibrational frequencies, which are monitored during atomistic simulations. We observed a frequency shift as
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::44b39d5921b33473364c9ca35b2cf6bd
https://doi.org/10.1088/1742-6596/402/1/012002
https://doi.org/10.1088/1742-6596/402/1/012002
Publikováno v:
Journal of Applied Physics. 110:124311
Single-walled carbon nanotubes (SWCNTs) have three distinct structures: armchair, zigzag, and chiral. It is known that they have different electronic properties, but the situation regarding their vibrational behavior is less clear. Doubly clamped nan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::75c077934a1c3379e84543f69c41697d
https://doi.org/10.1063/1.3667290
https://doi.org/10.1063/1.3667290