scholarly journals Should environmental effects be included when performing QTAIM calculations on actinide systems? A comparison of QTAIM metrics for Cs2UO2Cl4, U(Se2PPh2)4 and Np(Se2PPh2)4 in gas phase, COSMO and PEECM

Polyhedron ◽  
2016 ◽  
Vol 116 ◽  
pp. 57-63 ◽  
Author(s):  
Joseph P.W. Wellington ◽  
Andrew Kerridge ◽  
Nikolas Kaltsoyannis
Keyword(s):  
Gas Phase ◽  
Environmental Effects

scholarly journals Solvent effects on de-excitation channels in the p-coumaric acid methyl ester anion, an analogue of the photoactive yellow protein (PYP) chromophore

2016 ◽  
Vol 18 (39) ◽  
pp. 27476-27485 ◽  
Author(s):  
Francisco F. García-Prieto ◽  
Aurora Muñoz-Losa ◽  
M. Luz Sánchez ◽  
M. Elena Martín ◽  
Manuel A. Aguilar
Keyword(s):  
Methyl Ester ◽  
Gas Phase ◽  
Environmental Effects ◽  
Solvent Effects ◽  
Water Solution ◽  
Acid Methyl Ester ◽  
Photoactive Yellow Protein ◽  
Coumaric Acid ◽  
Acid Methyl

Environmental effects on the deactivation channels of the PYP chromophore in the gas phase and water solution are compared at the CASPT2//CASSCF/cc-pVDZ level.

scholarly journals CLASH-VLT: Enhancement of (O/H) in z  =  0.35 RX J2248−4431 cluster galaxies

2020 ◽  
Vol 633 ◽  
pp. A139 ◽  
Author(s):  
B. I. Ciocan ◽  
C. Maier ◽  
B. L. Ziegler ◽  
M. Verdugo
Keyword(s):  
Star Formation ◽  
Gas Phase ◽  
Environmental Effects ◽  
High Mass ◽  
Intermediate Mass ◽  
Cluster Galaxies ◽  
Star Forming ◽  
Evolution Of Galaxies ◽  
Halo Gas ◽  
Mass Field

Aims. Gas-phase metallicities offer insight into the chemical evolution of galaxies as they reflect the recycling of gas through star formation and galactic inflows and outflows. Environmental effects such as star-formation quenching mechanisms play an important role in shaping the evolution of galaxies. Clusters of galaxies at z <  0.5 are expected to be the sites where environmental effects can be clearly observed with present-day telescopes. Methods. We explored the Frontier Fields cluster RX J2248−443 at z = 0.348 with VIMOS/VLT spectroscopy from CLASH-VLT, which covers a central region corresponding to almost 2 virial radii. The fluxes of [OII] λ3727, Hβ, [OIII] λ5007, Hα and [NII] λ6584 emission lines were measured allowing the derivation of (O/H) gas metallicities, star formation rates based on extinction-corrected Hα fluxes, and contamination from active galactic nuclei. We compared our sample of cluster galaxies to a population of field galaxies at similar redshifts. Results. We use the location of galaxies in projected phase-space to distinguish between cluster and field galaxies. Both populations follow the star-forming sequence in the diagnostic diagrams, which allow the ionising sources in a galaxy to be disentangled, with only a low number of galaxies classified as Seyfert II. Both field and cluster galaxies follow the “main sequence” of star-forming galaxies, with no substantial difference observed between the two populations. In the mass–metallicity (MZ) plane, both high-mass field and cluster galaxies show comparable (O/H)s to the local SDSS MZ relation, with an offset of low-mass galaxies (log(M/M⊙) < 9.2) towards higher metallicities. While both the metallicities of “accreted” (R <  R500) and “infalling” (R >  R500) cluster members are comparable at all masses, the cluster galaxies from the “mass complete” bin (which is the intermediate mass bin in this study: 9.2 <  log(M/M⊙) < 10.2), show more enhanced metallicities than their field counterparts by a factor of 0.065 dex with a ∼1.8σ significance. The intermediate-mass field galaxies are in accordance with the expected (O/H)s from the fundamental metallicity relation, while the cluster members deviate strongly from the model predictions, namely by a factor of ∼0.12 dex. The results of this work are in accordance with studies of other clusters at z <  0.5 and favour the scenario in which the hot halo gas of low- and intermediate-mass cluster galaxies is removed due to ram pressure stripping, leading to an increase in their gas-phase metallicity.

Imaging molecules adsorbed onto electrodes under potential control by scanning probe microscopy

1991 ◽  
Vol 49 ◽  
pp. 376-377 ◽  
Author(s):  
N.J. Tao ◽  
J.A. DeRose ◽  
P.I. Oden ◽  
S.M. Lindsay
Keyword(s):  
Surface Charge ◽  
Environmental Effects ◽  
Scanning Probe Microscopy ◽  
Statistical Significance ◽  
Electrochemical Methods ◽  
Surface Structures ◽  
Scanning Probe ◽  
Potential Control ◽  
Afm Imaging ◽  
Special Circumstances

Clemmer and Beebe have pointed out that surface structures on graphite substrates can be misinterpreted as biopolymer images in STM experiments. We have been using electrochemical methods to react DNA fragments onto gold electrodes for STM and AFM imaging. The adsorbates produced in this way are only homogeneous in special circumstances. Searching an inhomogeneous substrate for ‘desired’ images limits the value of the data. Here, we report on a reversible method for imaging adsorbates. The molecules can be lifted onto and off the substrate during imaging. This leaves no doubt about the validity or statistical significance of the images. Furthermore, environmental effects (such as changes in electrolyte or surface charge) can be investigated easily.

Residual Gas Reactions in the Electron Microscope: I. Qualitative Observations on the Water Gas Reaction

1968 ◽  
Vol 26 ◽  
pp. 292-293
Author(s):  
Richard E. Hartman ◽  
Roberta S. Hartman ◽  
Peter L. Ramos
Keyword(s):  
Electron Beam ◽  
Electron Microscope ◽  
Gas Phase ◽  
Absolute Temperature ◽  
Residual Gas ◽  
Gas Reactions ◽  
Image Position ◽  
The Right ◽  
Water Gas ◽  
Thinning Rate

The action of water and the electron beam on organic specimens in the electron microscope results in the removal of oxidizable material (primarily hydrogen and carbon) by reactions similar to the water gas reaction .which has the form:The energy required to force the reaction to the right is supplied by the interaction of the electron beam with the specimen.The mass of water striking the specimen is given by:where u = gH2O/cm2 sec, PH2O = partial pressure of water in Torr, & T = absolute temperature of the gas phase. If it is assumed that mass is removed from the specimen by a reaction approximated by (1) and that the specimen is uniformly thinned by the reaction, then the thinning rate in A/ min iswhere x = thickness of the specimen in A, t = time in minutes, & E = efficiency (the fraction of the water striking the specimen which reacts with it).

Integration of Core-Edge Spectroscopy Methods for the Study of Polymers

1996 ◽  
Vol 54 ◽  
pp. 154-155
Author(s):  
E. G. Rightor
Keyword(s):  
Excited State ◽  
Polymer Blends ◽  
Gas Phase ◽  
Spatial Resolution ◽  
High Spatial Resolution ◽  
Electronic States ◽  
Core Electron ◽  
Bulk Solids ◽  
Development Application

Core edge spectroscopy methods are versatile tools for investigating a wide variety of materials. They can be used to probe the electronic states of materials in bulk solids, on surfaces, or in the gas phase. This family of methods involves promoting an inner shell (core) electron to an excited state and recording either the primary excitation or secondary decay of the excited state. The techniques are complimentary and have different strengths and limitations for studying challenging aspects of materials. The need to identify components in polymers or polymer blends at high spatial resolution has driven development, application, and integration of results from several of these methods.

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