Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Nicholas J. Ramer"'
Recent Advances in the Mitigation of the Catalyst Deactivation of CO2 Hydrogenation to Light Olefins
Autor:
Cheng Zhang, Daniel Weber, Nicholas J. Ramer, Christian Moon, Nicole Foley, Tina He, Matthew Wong, Axel Zhang
Publikováno v:
Catalysts, Vol 11, Iss 1447, p 1447 (2021)
The catalytic conversion of CO2 to value-added chemicals and fuels has been long regarded as a promising approach to the mitigation of CO2 emissions if green hydrogen is used. Light olefins, particularly ethylene and propylene, as building blocks for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b5e59711c0a524c3cbecc7b8a86d18f
https://doi.org/10.3390/catal11121447
https://doi.org/10.3390/catal11121447
Publikováno v:
Topics in Clinical Nutrition. 31:248-256
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e576c62860b417f1bfd96d928196e44
https://doi.org/10.1097/tin.0000000000000078
https://doi.org/10.1097/tin.0000000000000078
Publikováno v:
The Journal of Chemical Thermodynamics. 140:105867
Activity coefficients at infinite dilution ( γ i ∞ ) for a variety of polar and non-polar organic solutes (alkanes, cycloalkanes, alkenes, alkyl benzenes, alcohols, 1,4-dioxane, acetone, acetonitrile, tetrahydrofuran, chloroform and dichloromethan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d4a9adffd84c575fb5cdadc101f71fdf
https://doi.org/10.1016/j.jct.2019.07.009
https://doi.org/10.1016/j.jct.2019.07.009
Publikováno v:
Journal of Renal Nutrition. 16:304-311
Objectives To determine analytically the amount of potassium in raw tuberous root vegetables (TRV); to estimate the amount of potassium that can be leached from raw TRV by soaking in water; and to determine whether the duration of soaking and the coo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f9b62c4bbe2bdd5897345403a08c929
https://doi.org/10.1053/j.jrn.2006.07.012
https://doi.org/10.1053/j.jrn.2006.07.012
Publikováno v:
Polymer. 47:7160-7165
The structure of the non-polar α-phase of poly(vinylidene fluoride) (PVDF) is determined by density-functional methods. We find very good agreement between our relaxed structure and that of previous X-ray diffraction studies. Using the relaxed struc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6a2723477b1c59b279494d664da472b8
https://doi.org/10.1016/j.polymer.2006.08.012
https://doi.org/10.1016/j.polymer.2006.08.012
Publikováno v:
Polymer. 47:424-428
We have determined the vibrational frequencies for planar–zigzag β-poly(vinylidene fluoride) using first principles density-functional theory. Specifically, through the use of the generalized gradient approximation, periodic boundary conditions an
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1fd93c0ad20812380e0f69c4f9a72c3b
https://doi.org/10.1016/j.polymer.2005.11.049
https://doi.org/10.1016/j.polymer.2005.11.049
Autor:
Kimberly A. Stiso, Nicholas J. Ramer
Publikováno v:
Polymer. 46:10431-10436
Two structures have been proposed in the literature for the β-phase of the ferroelectric polymer, poly(vinylidene fluoride) (β-PVDF); planar-zigzag and alternatively-deflected forms. Using density-functional theory, we have found the planar-zigzag
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::990a0cf7a4f9fa74ec531ab137d519a6
https://doi.org/10.1016/j.polymer.2005.08.064
https://doi.org/10.1016/j.polymer.2005.08.064
Autor:
Nicholas J. Ramer† and, Bernhardt L. Trout, Andrew M. Rappe, Xi Lin, William F. Schneider, Kenneth C. Hass and
Publikováno v:
The Journal of Physical Chemistry B. 105:7739-7747
In order to evaluate the effect of size on the adsorption energies on small Pt particles, we have performed a series of DFT-GGA calculations on Pt clusters of varying sizes, between 3 and 25 atoms, and a Pt(111) slab, with and without O and S adsorba
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::919a7c9fe13b566c8587e3a16fa7792b
https://doi.org/10.1021/jp011133p
https://doi.org/10.1021/jp011133p
Publikováno v:
Physical Review B. 62:2311-2314
We present a method for constructing a scalar-relativistic pseudopotential which provides exact agreement with relativistic Dirac-Slater all-electron eigenvalues at the reference configuration. All-electron wave functions are self-consistently comput
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::62e67ee58f8c152203823fd87d8fc2dc
https://doi.org/10.1103/physrevb.62.2311
https://doi.org/10.1103/physrevb.62.2311
Autor:
Andrew M. Rappe, Nicholas J. Ramer
Publikováno v:
Physical Review B. 62:R743-R746
We present a method for modeling disordered solid solutions, based on the virtual crystal approximation (VCA). The VCA is a tractable way of studying configurationally disordered systems; traditionally, the potentials which represent atoms of two or
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ac8dc4a532fc091a3e9c210720773f4d
https://doi.org/10.1103/physrevb.62.r743
https://doi.org/10.1103/physrevb.62.r743