Fig. 1 Comparison of experimental and simulated NMR relaxation rates at 278 to 298 K. Comparison of experimental and simulated NMR relaxation rates at.

Slides:

Advertisements

Similar presentations

Fig. 2 Transport properties of a BP transistor at low temperature.

Advertisements

Fig. 4 Ballistic simulation of BP FETs.

Fig. 2 Global production, use, and fate of polymer resins, synthetic fibers, and additives (1950 to 2015; in million metric tons). Global production, use,

Fig. 2 CL-DMD modeling of FKBP.

Fig. 2 CFD results. CFD results. Results of CFD simulations in horizontal (left column) and vertical (right column) cross-sections. All models oriented.

Vibrational spectra of medieval human bones (Leopoli-Cencelle, Italy)

Fig. 3 Oil, gas, and FP water variations with time.

Fig. 5 Thermal conductivity of n-type ZrCoBi-based half-Heuslers.

Fig. 1 Evolution of magnetic field lines around a foreshock bubble in the GSE-XY plane (z = 0): Results of a hybrid simulation. Evolution of magnetic field.

Fig. 3 Illustration of inter- and intrasegment dynamics contributing to NMR relaxation. Illustration of inter- and intrasegment dynamics contributing to.

Fig. 1 Map of water stress and shale plays.

Fig. 1 Examples of experimental stimuli and behavioral performance.

Fig. 3 Saturation velocity of BP FETs.

Fig. 3 Electron PSD in various regions.

Fig. 2 Some examples of weekly forecasts (the number of the forecasts are reported on Table 1). Some examples of weekly forecasts (the number of the forecasts.

Fig. 4 Resynthesized complex boronic acid derivatives based on different scaffolds on a millimole scale and corresponding yields. Resynthesized complex.

Fig. 6 Comparison of properties of water models.

Fig. 2 Stratigraphic profile of the Area 15 excavation block showing the diagnostic cultural materials and components alongside the stratigraphic sequence.

Fig. 3 Rotation experiment, setup.

Fig. 1 Product lifetime distributions for the eight industrial use sectors plotted as log-normal probability distribution functions (PDF). Product lifetime.

Fig. 4 Energy balance analysis in STD systems.

Fig. 1 Distribution of total and fake news shares.

Fig. 3 Forward model. Forward model. Summary of the resampled Monte Carlo simulations shown as histograms for epoch 1 (red), epoch 2 (green), and epoch.

Fig. 4 From reversibility to the breakdown of collective Heisenberg model simulation. From reversibility to the breakdown of collective Heisenberg model.

Fig. 3 Photon number statistics resulting from Fock state |l, S − l〉 interference. Photon number statistics resulting from Fock state |l, S − l〉 interference.

Fig. 2 2D QWs of different propagation lengths.

Fig. 5 Molecular dynamics simulations of Rac1.

Fig. 3 Magnetic and transport properties of ACoO3 (A = Ca, Sr).

by Nicola Salvi, Anton Abyzov, and Martin Blackledge

Fig. 3 ET dynamics on the control and treatment watersheds during the pretreatment and treatment periods. ET dynamics on the control and treatment watersheds.

Fig. 1 Histograms of the number of first messages received by men and women in each of our four cities. Histograms of the number of first messages received.

Fig. 5 Schematic phase diagrams of Ising spin systems and Mott transition systems. Schematic phase diagrams of Ising spin systems and Mott transition systems.

Fig. 1 Average contribution (million metric tons) of seafood-producing sectors, 2009–2014. Average contribution (million metric tons) of seafood-producing.

Fig. 2 Dynamics of Im7 protein by backbone 15N-NMR spin relaxation and molecular dynamics (MD) simulations. Dynamics of Im7 protein by backbone 15N-NMR.

Fig. 4 The mechanical performances of thermally stable click-ionogels.

Fig. 1 Cross-sectional images of He-implanted V/Cu/V samples.

Fig. 4 Evolution of fraction of sickled RBCs under hypoxia.

Fig. 2 Magnetic properties of FGT/Pt bilayer.

Fig. 3 Characterization of the current-induced effective fields.

Fig. 3 Production of protein and Fe(II) at the end of growth correlated with increasing concentrations of ferrihydrite in the media that contained 0.2.

Fig. 2 Schematic drawings of Göbekli Tepe skulls.

Fig. 4 SPICE simulation of stochasticity.

Fig. 2 NH3, NOx, SO2, and NMVOC emission changes triggered by the JJJ clean air policy. NH3, NOx, SO2, and NMVOC emission changes triggered by the JJJ.

Fig. 1 Size fractions of MPPs in different fertilizers.

Fig. 4 Relationships between light and economic parameters.

Fig. 5 Comparison of the liquid products generated from photocatalytic CO2 reduction reactions (CO2RR) and CO reduction reactions (CORR) on two catalysts.

Fig. 1 Global distribution of surface DIP.

Fig. 1 Location of the Jirzankal Cemetery.

Fig. 4 CO2 emission changes triggered by the JJJ clean air policy.

Fig. 4 Next-generation MOF with increased productivity.

Fig. 2 Mean field results. Mean field results. (A) Solutions P(x) to Eq. 4 for a range of T and wc = (B) Modulus ∣pk∣ of order parameters versus.

Fig. 3 Comparisons of NDVI trends over the globally vegetated areas from 1982 to Comparisons of NDVI trends over the globally vegetated areas from.

Experimenter gender and replicability in science

Fig. 1 Effects of experimental warming on nematode communities across the gradient of plant species richness. Effects of experimental warming on nematode.

Trotterized time evolution and resulting error on local observables

Fig. 1 Schematic depiction of a paradigm for rapid and guided discovery of materials through iterative combination of ML with HiTp experimentation. Schematic.

Fig. 4 Spatial mapping of the distribution and intensity of industrial fishing catch. Spatial mapping of the distribution and intensity of industrial fishing.

Fig. 4 Single-particle contact angle measurements.

Fig. 2 Supraballs and films from binary SPs.

Fig. 3 Performance of the generative model G, with and without stack-augmented memory. Performance of the generative model G, with and without stack-augmented.

Fig. 2 Growth kinetics of borophene on silver.

Fig. 4 Behavior of resistance peak near density nm = 5.

Fig. 2 Comparison between the different reflective metasurface proposals when θi = 0° and θr = 70°. Comparison between the different reflective metasurface.

The combined signal spectra of PSD for protons and helium nuclei

Fig. 2 Spin relaxation time as function of the B field for one electronic spin coupled to one nuclear spin. Spin relaxation time as function of the B field.

Fig. 4 Effects of individual picosecond and microsecond pulses.

Fig. 3 Calculated electronic structure of ZrCoBi.

Fig. 4 Orthosteric ligand-binding pocket in CysLT1R.

Fig. 2 Longitudinal (local) resistance Rxx and nonlocal resistance Rnl with different terminal configurations on the six-terminal device measured without.

Fig. 3 Spatial distribution of the shoot density (high densities are represented in dark green and low ones in bright yellow) in a simulation of a P. oceanica.

Presentation transcript:

Fig. 1 Comparison of experimental and simulated NMR relaxation rates at 278 to 298 K. Comparison of experimental and simulated NMR relaxation rates at 278 to 298 K. (A) Experimental 15N transverse spin relaxation rates R2 (gray bars) measured on Ntail at different magnetic fields (columns) and temperatures (rows) are compared with the results of simulations C3P (blue line), C4P (orange), and A4P (purple). At all temperatures and fields, simulations in TIP4P/2005 capture the dynamics of Ntail better than simulations in TIP3P water (RMSD given in figs. S4 to S6). All rates are reported in s−1. Rates at 950 MHz are not shown in the interests of space. (B) Experimental 15N longitudinal spin relaxation rates (R1) measured on Ntail at different magnetic fields (columns) and temperatures (rows) [color code as in (A)]. All simulations reproduce, at least qualitatively, the sequence dependence of R2 rates, although simulations are more accurate at room temperature than at lower temperature. All rates are reported in s−1. (C) Experimental 15N{1H} steady-state NOEs measured on Ntail at different magnetic fields (columns) and temperatures (rows) [color code as in (A)]. Simulations in TIP4P/2005 reproduce the experimental values better than C3P, at all temperatures and at all fields (RMSD given in figs. S4 to S6). Nicola Salvi et al. Sci Adv 2019;5:eaax2348 Copyright © 2019 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works. Distributed under a Creative Commons Attribution NonCommercial License 4.0 (CC BY-NC).