Zobrazeno 1 - 10
of 70
pro vyhledávání: '"Robert Yaris"'
Autor:
Christopher A. Klug, In Sook Han Lee, Maurice M. Kreevoy, Jacob Schaefer, Robert Yaris, Patricia Lani Lee
Publikováno v:
The Journal of Physical Chemistry B. 101:8086-8091
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9383c3459d61cee11247478f7f27a234
https://doi.org/10.1021/jp971146w
https://doi.org/10.1021/jp971146w
Autor:
Robert Yaris, Duane R. Whitney
Publikováno v:
Macromolecules. 30:1741-1751
In order to obtain the mechanism for the infrequent phenyl ring π-flips in glassy polycarbonate, a generalized Langevin dynamics simulation was performed on a reduced model consisting of a flipping ring and its keeper ring. The frequency of π-flips
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::02acb3bdf835c9dcaa73362ec5d06de2
https://doi.org/10.1021/ma9611432
https://doi.org/10.1021/ma9611432
Autor:
Piotr Romiszowski, Robert Yaris
Publikováno v:
The Journal of Chemical Physics. 95:6738-6744
Our method [P. Romiszowski and R. Yaris, J. Chem. Phys. 94, 6751, (1991)] of simulating infrequent motions by using an equation of motion with the uninteresting degrees of freedom suppressed—the generalized Langevin equation—has been extended to
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::db371bf853c4e11649b73078407c2e87
https://doi.org/10.1063/1.461512
https://doi.org/10.1063/1.461512
Autor:
Piotr Romiszowski, Robert Yaris
Publikováno v:
The Journal of Chemical Physics. 94:6751-6761
In order to be able to simulate slow or infrequent motions which require extremely long (or sometimes impossibly long) simulations, a method of simulation using an equation of motion with the uninteresting degrees of freedom suppressed—the generali
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e83da8a15f563cddd345163a19a1e567
https://doi.org/10.1063/1.460726
https://doi.org/10.1063/1.460726
Autor:
Robert Yaris
Publikováno v:
International Journal of Quantum Chemistry. 22:665-665
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2664e6c6c015d4d185ca50e09c9b7c9c
https://doi.org/10.1002/qua.560220859
https://doi.org/10.1002/qua.560220859
Autor:
Piotr Romiszowski, Robert Yaris
Publikováno v:
The Journal of Chemical Physics. 95:7013-7014
It is shown that both the full simulation and the generalized Langevin dynamics simulation π flips in a two‐dimensional array of interacting benzene rings [P. Romiszowski and R. Yaris, J. Chem. Phys. XX, xxxx (1991)] satisfy Poisson statistics.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::23d4fe0d761580d9fca78850e5e8f9bc
https://doi.org/10.1063/1.461048
https://doi.org/10.1063/1.461048
Autor:
Robert Yaris, John T. Bendler
Publikováno v:
Macromolecules. 11:650-655
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1db74bfd48cdc4d0c9a3de9743ed85fa
https://doi.org/10.1021/ma60064a007
https://doi.org/10.1021/ma60064a007
Publikováno v:
Macromolecules. 18:368-373
Calculations of the conformational preferences of isolated single chains of poly(2,6-di- methylphenylene oxide) (PPO) and bisphenol-A polycarbonate (PC) predict that the rings of both chains are nearly free rotors at room temperature. However, experi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::948eb2d4c3cd3876a826050f11628127
https://doi.org/10.1021/ma00145a012
https://doi.org/10.1021/ma00145a012
Autor:
Robert Yaris, Jeffrey Skolnick
Publikováno v:
Macromolecules. 15:1046-1051
The damped diffusion model presented in the previous paper is applied to the 'H NMR relaxation rates and dielectric loss data of poly(viny1 acetate) in toluene. The results are compared to those obtained from the cutoff diffusion model of Bendler and
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d550ff263b89ab3ae98911eefeb75dac
https://doi.org/10.1021/ma00232a018
https://doi.org/10.1021/ma00232a018
Publikováno v:
The Journal of Chemical Physics. 86:7164-7173
Dynamic Monte Carlo simulations of long chains confined to a cubic lattice system at a polymer volume fraction of φ=0.5 were employed to investigate the dynamics of polymer melts. It is shown that in the range of chain lengths n, from n=64 to n=800
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f86abd01c396ba7c6bc8364fdf0b5a69
https://doi.org/10.1063/1.452366
https://doi.org/10.1063/1.452366