Zobrazeno 1 - 10
of 21
pro vyhledávání: '"N. W. Winter"'
Publikováno v:
Physica B: Condensed Matter. 265:223-229
Physical processes that govern the growth kinetics of carbon clusters at high pressure and high temperature are: (a) structural sp3-to-sp2 and sp2-to-sp bonding changes and (b) cluster diffusion. Our study on item (a) deals with ab initio and semi-em
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0e3e382b9384e09fef3bb9034ed7ab7f
https://doi.org/10.1016/s0921-4526(98)01380-5
https://doi.org/10.1016/s0921-4526(98)01380-5
Publikováno v:
Environmental and Molecular Mutagenesis. 26:79-85
We tested four isomeric imidazonaphthyridines and one imidazoquinoline compound for mutagenic activity in the Ames/Salmonella mutagenicity assay, using strain TA98 and strain YG1024, an analogue of strain TA98 with elevated O-acetyltransferase levels
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d24524d3d59909e87039c579b35023e9
https://doi.org/10.1002/em.2850260112
https://doi.org/10.1002/em.2850260112
Publikováno v:
The Journal of Physical Chemistry. 98:8641-8647
The geometry and energy of the transition state for the exchange of water-coordinating Be{sup 2+} in aqueous solution has been investigated by Hartree-Fock (HF) cluster calculations, which include the ion and its near-neighbors. The calculated activa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::efab785c6a229c60d7b24bbc87557448
https://doi.org/10.1021/j100086a010
https://doi.org/10.1021/j100086a010
Publikováno v:
Applied Spectroscopy Reviews. 28:123-164
Since their discovery in 1986 [11], the high temperature superconducting (HTS) copper oxides have presented a continuing challenge to both experiment and theory. The identification of the underlying mechanism (or mechanisms) responsible for their sup
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1aee543ee4cbef8a73a1a2948fba3fdd
https://doi.org/10.1080/05704929308021500
https://doi.org/10.1080/05704929308021500
Autor:
Russell M. Pitzer, N. W. Winter
Publikováno v:
International Journal of Quantum Chemistry. 40:773-780
Molecular integral formulas and corresponding computational algorithms are developed for the relativistic spin-orbit and core potential operators that are obtained from atomic relativistic calculations by means of the effective core potential procedu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::13058e6e87fc0fcc3aef988c6855cf2a
https://doi.org/10.1002/qua.560400606
https://doi.org/10.1002/qua.560400606
Publikováno v:
The Journal of Physical Chemistry. 94:7771-7774
Results of ab initio Hartree-Fock calculations are presented for the nine-coordination-shell cluster Be{sub 69}. Binding energy, ionization potential, electrical field gradient, nuclear-electrostatic potential, diamagnetic shielding constant, second
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9da5f23e8fac56585848e233e0669d49
https://doi.org/10.1021/j100383a006
https://doi.org/10.1021/j100383a006
Publikováno v:
Physical Review B. 76
The Hugoniot of shock-compressed liquid helium was calculated using the activity expansion dense plasma program. The predicted maximum compression is at $100\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$ and $58\phantom{\rule{0.2em}{0ex}}000\phantom{\rule{
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cf8d8910c8a297d29d06d10bb571cc51
https://doi.org/10.1103/physrevb.76.020502
https://doi.org/10.1103/physrevb.76.020502
Publikováno v:
THE REVIEW OF HIGH PRESSURE SCIENCE AND TECHNOLOGY. 7:900-902
The detonation behavior of carbon-rich high explosives is affected by a slow coagulation of carbon atoms by diffusion and their possible transformation from one chemical bonding type to another. We have examined the applicability of the Brenner poten
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e4ce2f522c7c4aa4fc41415b179ad31
https://doi.org/10.4131/jshpreview.7.900
https://doi.org/10.4131/jshpreview.7.900
Autor:
Sean Parkin, Kenneth W. Turteltaub, Michael E. Colvin, Erin Whitney, James S. Felton, Glenn A. Marsch, Hakon Hope, N. W. Winter
Publikováno v:
Chemical research in toxicology. 9(3)
The crystal structure of the food mutagen 2-amino-1-methyl-6-phenylimidazo[4,5-b] pyridine (PhIP) has been determined by single-crystal X-ray crystallography. Crystals grown by evaporation of an aqueous solution form in the monoclinic space group P2(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3db2ca88db3582c632bd8bd2b820967a
https://pubmed.ncbi.nlm.nih.gov/8728500
https://pubmed.ncbi.nlm.nih.gov/8728500
Publikováno v:
The Journal of Physical Chemistry. 92:3042-3046
Results of ab initio self-consistent field calculations are reported for electronic states of beryllium clusters comprised of 13, 19, 21, 33, 39, 51, 57, and 63 atoms. The clusters correspond to the second through ninth coordination shells of a centr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e5a9bea8b8d58d46fad529e8a0d0810c
https://doi.org/10.1021/j100322a006
https://doi.org/10.1021/j100322a006