Zobrazeno 1 - 10
of 82
pro vyhledávání: '"S. Grigoras"'
Publikováno v:
Polymer. 43:489-494
We present an approach to estimate the elastic constants of molecules and nanoparticles, based on the analysis of thermal fluctuations from Monte Carlo (MC) or molecular-dynamics (MD) atomistic simulations. The method and the force-field used for the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f13f3977433136afb5322514158a76f2
https://doi.org/10.1016/s0032-3861(01)00429-3
https://doi.org/10.1016/s0032-3861(01)00429-3
Publikováno v:
Computational and Theoretical Polymer Science. 10:21-28
Several types of substituted carbosilane-based dendrimers are studied in comparison with polyamidoamine (PAMAM), using molecular mechanics approach, to evaluate the shape and steric interactions when the generation number ( G ) increases. A scaled va
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3c292ef301910b0eb05014da0cb49d1
https://doi.org/10.1016/s1089-3156(99)00029-x
https://doi.org/10.1016/s1089-3156(99)00029-x
Publikováno v:
Macromolecules. 28:7370-7375
This study shows that the structure of the poly(diphenylsiloxane) (PDPhS) backbone is quasi-planar rather than helical. The nearest-neighbor chains in the crystal are packed in a hexagonal configuration. Using molecular mechanics calculations and ana
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c4759f9bd4793573747f0f85d88a7acf
https://doi.org/10.1021/ma00126a014
https://doi.org/10.1021/ma00126a014
Publikováno v:
ChemInform. 29
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::80ffa15e88b15dacdfa1de3d0a30bb01
https://doi.org/10.1002/chin.199844340
https://doi.org/10.1002/chin.199844340
Autor:
Kam Sing Wong, S.G. Han, S. Ijadi-Maghsoodi, Y. Pang, Joseph Shinar, Thomas J. Barton, G.C. Lie, S. Grigoras, Z. V. Vardeny
Publikováno v:
Synthetic Metals. 49:293-304
Recently, a novel π-conjugated polymer, polydiethynylsilane (PDES), with excellent nonlinear optical properties has been reported. The structures of several isomeric forms for PDES have been characterized theoretically. The results show that the fou
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d28f85f016a04f1bf084e63c3766bf43
https://doi.org/10.1016/0379-6779(92)90102-o
https://doi.org/10.1016/0379-6779(92)90102-o
Autor:
B. Parbhoo, S.G. Han, S. Grigoras, Y. Pang, Joseph Shinar, Kam Sing Wong, X. Wei, S. Ijadi-Maghsoodi, Thomas J. Barton, G.S. Kanner, Z. V. Vardeny, L.X. Zheng
Publikováno v:
Synthetic Metals. 50:453-459
We have applied a variety of optical probe techniques for studying the ground-state properties, photoexcitations, and optical nonlinearities of the novel class π-conjugated polymers incorporating Si (or Ge), the polydiethynylsilanes (PDES): [(HCC
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::121770ed316b92607ea934c346b271b0
https://doi.org/10.1016/0379-6779(92)90199-s
https://doi.org/10.1016/0379-6779(92)90199-s
Autor:
S. Ijadi-Maghsoodi, S.G. Han, B. C. Hess, L.X. Zheng, Joseph Shinar, Zeev Valy Vardeny, Kam Sing Wong, X. Wei, Thomas J. Barton, Y. Pang, Q.-X. Ni, S. Grigoras
Publikováno v:
Synthetic Metals. 42:1583-1586
We have measured optical absorption, resonant Raman scattering (RRS), cw photomodulation (PM), picosecond transient PM and degenerate four-wave mixing, in I 2 -doped and undoped polydiethynylsilanes (PDES): [(HC = C) 2 SiR 2 ] x , where R = alkyl, ph
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6fff7d64bd4fa8e0fcc56a82d7902c50
https://doi.org/10.1016/0379-6779(91)91903-n
https://doi.org/10.1016/0379-6779(91)91903-n
Autor:
Z. V. Vardeny, Thomas J. Barton, Q.-X. Ni, Joseph Shinar, S. Ijadi-Maghsoodi, S. Grigoras, Y. Pang
Publikováno v:
Physical review. B, Condensed matter. 44(11)
The optical, transport, and ESR properties of some soluble conducting four-membered polydiethynylsilane heterocycles are described. The undoped one-dimensional gap is 2.0 eV in both films and solutions; no photoluminescence is observed. I{sub 2} dopi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a690b49d343dd789948650f806fcb06f
https://pubmed.ncbi.nlm.nih.gov/9998449
https://pubmed.ncbi.nlm.nih.gov/9998449
Publikováno v:
Organic Magnetic Resonance. 21:450-456
Principal components analysis was applied to the 13C and 15N chemical shift data on a series of fifteen 1-(para-substituted-phenyl)-3-acetyl-3-methyltriazenes. It was found that the halogen-substituted triazenes formed a class, based on substituent e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef0cdfc4a7ad7580701ec4b7d88fc507
https://doi.org/10.1002/omr.1270210710
https://doi.org/10.1002/omr.1270210710
Publikováno v:
International Journal of Quantum Chemistry. 18:501-508
The problem of the existence of a prostaglandin (PG) receptor is still controversial, but it seems to be clear that the main action of the PGs concerns the interface of the cellular membrane (which has a predominantly lipid character) and the extrace
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::eae943c8dae3f284aed2b74c75ef504a
https://doi.org/10.1002/qua.560180220
https://doi.org/10.1002/qua.560180220