Zobrazeno 1 - 10
of 51
pro vyhledávání: '"Susan C. Tucker"'
Publikováno v:
The Journal of Supercritical Fluids. 24:173-181
A compressible continuum model for supercritical fluoroform is used to model enantiomeric selectivities measured experimentally by Jessop et al. While oversimplified models, which exaggerate the importance of the electrostriction effect, do produce a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9b8134b77dcabbf0124e446795f19d01
https://doi.org/10.1016/s0896-8446(02)00032-3
https://doi.org/10.1016/s0896-8446(02)00032-3
Autor:
Ryoji Noyori, Richard A. Brown, Philip G. Jessop, Jianliang Xiao, Takao Ikariya, Susan C. Tucker, Masashi Yamakawa, Masato Kitamura
Publikováno v:
The Journal of Supercritical Fluids. 24:161-172
Amino alcohol-catalyzed asymmetric alkylation of benzaldehydes by dialkylzincs can be achieved in supercritical fluoroform (scCHF 3 ) and supercritical ethane (scC 2 H 6 ) with high conversion and enantioselectivity. The higher enantioselectivity in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1707d46707c0bcfae6cf0cd83776ec25
https://doi.org/10.1016/s0896-8446(02)00030-x
https://doi.org/10.1016/s0896-8446(02)00030-x
Autor:
Susan C. Tucker, Alexander N. Drozdov
Publikováno v:
The Journal of Chemical Physics. 115:9675-9684
We present an improved method for numerical evaluation of the least nonvanishing eigenvalue in dissipative systems. It is based on a modified version of the reactive flux formula for the rate which eliminates the principal shortcomings of the origina
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3ad5011efd96975fe6b460915ba8a4cd
https://doi.org/10.1063/1.1415342
https://doi.org/10.1063/1.1415342
Autor:
Alexander N. Drozdov, Susan C. Tucker
Publikováno v:
The Journal of Physical Chemistry B. 105:6675-6683
An extension of the generalized Langevin equation (GLE) is introduced in order to model diffusion processes in near-critical fluids. Unlike the standard GLE, this new approach allows a flexible des...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::252a0097e93e74ae09f90eaef1ab0f37
https://doi.org/10.1021/jp010354s
https://doi.org/10.1021/jp010354s
Autor:
Susan C. Tucker, Alexander N. Drozdov
Publikováno v:
The Journal of Chemical Physics. 114:4912-4917
While detailed descriptions of critical anomalies are well known for thermodynamic variables, the effect of critical fluctuations on microscopic properties is much less well understood. Herein we use the results of molecular dynamics simulation, for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4e9e100514b5dc5a6ce7e05c3b18a144
https://doi.org/10.1063/1.1349095
https://doi.org/10.1063/1.1349095
Autor:
Susan C. Tucker, Alexander N. Drozdov
Publikováno v:
The Journal of Chemical Physics. 113:258-265
We propose a Rayleigh-quotient-based perturbation method for estimating the least nonvanishing eigenvalue of the Fokker–Planck equation in the spatial diffusion regime. Comparison of the resulting expression against exact numerical rates in a symme
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e3dd0edd9eadae6543885938bf5f22d9
https://doi.org/10.1063/1.481792
https://doi.org/10.1063/1.481792
Publikováno v:
The Journal of Chemical Physics. 112:10327-10339
We derive a family of local-density-specific radial distribution functions which enable us to analyze the fluid structure around a tagged solvent particle as a function of the local environment about that particle. With this new structural measure, w
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cb25537763315f4650a7402b45dc502e
https://doi.org/10.1063/1.481670
https://doi.org/10.1063/1.481670
Publikováno v:
The Journal of Physical Chemistry B. 104:6248-6257
We used molecular dynamics simulation of a neat two-dimensional Lennard-Jones fluid to examine how the distribution of local densities found around an atom varies as the critical point is approached. Through this analysis, we discovered that mean loc
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f90b233736a87087945ce1709e160f3c
https://doi.org/10.1021/jp000379b
https://doi.org/10.1021/jp000379b
Publikováno v:
The Journal of Physical Chemistry B. 104:6266-6270
Through molecular dynamics simulation we demonstrate that the time scale for local solvent reorganizations, which may control solute dynamics, can become very long for low- and near-critical-density supercritical fluids. We show that this can be ascr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::58b7c2b8353a00f5e80caed177433065
https://doi.org/10.1021/jp0003813
https://doi.org/10.1021/jp0003813
Publikováno v:
The Journal of Physical Chemistry B. 104:6258-6265
Evaluation of local-density-specific radial distribution functions in a two-dimensional supercritical Lennard-Jones fluid has enabled us to elucidate how the correlations between a solvent particle...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8e881c8893283cb343ec26e288ecabd4
https://doi.org/10.1021/jp000380a
https://doi.org/10.1021/jp000380a