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pro vyhledávání: '"Pratt, L"'
Autor:
Wilde, C.A., Ryabenkova, Yulia, Firth, I.M., Pratt, L., Railton, J., Bravo-Sanchez, M., Sano, N., Cumpson, P.J., Coates, Philip D., Liu, X., Conte, M.
Yes
Rhodium nanoparticles or rhodium organometallic complexes are mainly used in catalysis for reduction or hydroformylation reactions. In this work instead, we explored the capabilities of Rh nanoparticles as an oxidation catalyst, applied to t
Rhodium nanoparticles or rhodium organometallic complexes are mainly used in catalysis for reduction or hydroformylation reactions. In this work instead, we explored the capabilities of Rh nanoparticles as an oxidation catalyst, applied to t
Externí odkaz:
http://hdl.handle.net/10454/17007
Here we study the shapes of droplets captured between chemically distinct parallel plates. This work is a preliminary step toward characterizing the influence of second-phase bridging between biomolecular surfaces on their solution contacts, i.e., ca
Externí odkaz:
http://arxiv.org/abs/2108.08101
Ions transiting biomembranes might pass readily from water through ion-specific membrane proteins if those protein channels provide environments similar to the aqueous solution hydration environment. Indeed, bulk aqueous solution is an important refe
Externí odkaz:
http://arxiv.org/abs/1912.04102
Anion hydration is complicated by H-bond donation between neighboring water molecules in addition to H-bond donation to the anion. This situation can lead to competing structures for chemically simple clusters like (H$_2$O)$_n$Cl$^-$ and to anharmoni
Externí odkaz:
http://arxiv.org/abs/1907.07644
Accurate predictions of the hydration free energy for anions typically have been more challenging than for cations. Hydrogen bond donation to the anion in hydrated clusters such as $\mathrm{F(H_2O)}_n{}^-$ can lead to delicate structures. Consequentl
Externí odkaz:
http://arxiv.org/abs/1808.10737
Laying a basis for molecularly specific theory for the mobilities of ions in solutions of practical interest, we report a broad survey of velocity autocorrelation functions (VACFs) of Li$^+$ and PF$_6{}^-$ ions in water, ethylene carbonate, propylene
Externí odkaz:
http://arxiv.org/abs/1801.07116
Autor:
Hoesch, M., Kim, T. K., Dudin, P., Wang, H., Scott, S., Harris, P., Patel, S., Matthews, M., Hawkins, D., Alcock, S. G., Richter, T., Mudd, J. J., Basham, M., Pratt, L., Leicester, P., Longhi, E. C., Tamai, A., Baumberger, F.
Publikováno v:
Rev. Sci. Instrum. 88, 013106 (2017)
A synchrotron radiation beamline in the photon energy range of 18 - 240 eV and an electron spectroscopy end station have been constructed at the 3 GeV Diamond Light Source storage ring. The instrument features a variable polarisation undulator, a hig
Externí odkaz:
http://arxiv.org/abs/1612.08634
This review focuses on the striking recent progress in solving for hydrophobic interactions between small inert molecules. We discuss several new understandings. Firstly, the _inverse _temperature phenomenology of hydrophobic interactions, _i.e., str
Externí odkaz:
http://arxiv.org/abs/1604.06955
Extensive all-atom molecular dynamics calculations on the water-squalane interface for nine different loadings with sorbitan monooleate (SPAN80), at $T=300$K, are analyzed for the surface tension equation of state, desorption free energy profiles as
Externí odkaz:
http://arxiv.org/abs/1603.04033
The role of solute attractive forces on hydrophobic interactions is studied by coordinated development of theory and simulation results for Ar atoms in water. We present a concise derivation of the local molecular field (LMF) theory for the effects o
Externí odkaz:
http://arxiv.org/abs/1501.02495