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Institution

ExxonMobil

CompanyIrving, Texas, United States
About: ExxonMobil is a company organization based out in Irving, Texas, United States. It is known for research contribution in the topics: Catalysis & Polymerization. The organization has 16969 authors who have published 23758 publications receiving 535713 citations. The organization is also known as: Exxon Mobil Corporation & Exxon Mobil Corp..
Topics: Catalysis, Polymerization, Polymer, Hydrocarbon, Alkyl


Papers
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Journal ArticleDOI
TL;DR: In this article, an exact linear integral relation between the Fukui functions of insulators or molecules and the probability density of the frontier orbitals of Kohn-Sham theory was obtained.
Abstract: The local softness and the Fukui function emerge from density functional theory as measures of local electronic reactivity. We obtain here an exact linear integral relation between the Fukui functions of insulators or molecules and the probability density of the frontier orbitals of Kohn–Sham theory. The same linear map holds between the local softness and the local Kohn–Sham density of states at the Fermi level for metals. The kernel in those relations is the inverse of the transpose of the potential response function (PRF) of Kohn–Sham theory. The PRF has the form of the static Hartree dielectric function with an exchange and correlation interaction added to the bare Coulomb interaction. The exact static dielectric function also has the Hartree form, but with a renormalized polarization propagator. The map is norm preserving for systems with energy gaps such as insulators and molecules and norm reducing or screening for systems with a finite density of states above the ground state such as normal metals...

154 citations

Journal ArticleDOI
TL;DR: In this paper, the authors used passive sampling to measure the freely dissolved concentration (Cfree) of an organic contaminant even in complex matrices such as sediments, which is directly related to a contaminant's chemical activity, which drives spontaneous processes including diffusive uptake into benthic organisms and exchange with the overlying water column.
Abstract: Passive sampling methods (PSMs) allow the quantification of the freely dissolved concentration (Cfree) of an organic contaminant even in complex matrices such as sediments. Cfree is directly related to a contaminant's chemical activity, which drives spontaneous processes including diffusive uptake into benthic organisms and exchange with the overlying water column. Consequently, Cfree provides a more relevant dose metric than total sediment concentration. Recent developments in PSMs have significantly improved our ability to reliably measure even very low levels of Cfree. Application of PSMs in sediments is preferably conducted in the equilibrium regime, where freely dissolved concentrations in the sediment are well-linked to the measured concentration in the sampler via analyte-specific partition ratios. The equilibrium condition can then be assured by measuring a time series or a single time point using passive samplers with different surface to volume ratios. Sampling in the kinetic regime is also possible and generally involves the application of performance reference compounds for the calibration. Based on previous research on hydrophobic organic contaminants, it is concluded that Cfree allows a direct assessment of 1) contaminant exchange and equilibrium status between sediment and overlying water, 2) benthic bioaccumulation, and 3) potential toxicity to benthic organisms. Thus, the use of PSMs to measure Cfree provides an improved basis for the mechanistic understanding of fate and transport processes in sediments and has the potential to significantly improve risk assessment and management of contaminated sediments. Integr Environ Assess Manag 2014;10:197–209. © 2014 The Authors. Integrated Environmental Assessment and Management published by Wiley Periodicals, Inc. on behalf of SETAC.

153 citations

Journal ArticleDOI
TL;DR: It is found that long-range antiferromagnetic order develops with increasing y out of a nonmagnetic ground state at y--0 into a state with a maximum Neel temperature of 290 K at yapprox.
Abstract: We present the results of magnetic-susceptibility, heat-capacity, electrical-resistivity, and thermoelectric-power measurements on La/sub 2/CuO/sub 4-//sub y/. The crystallographic, magnetic, and electronic transport properties are found to be extremely sensitive to the oxygen defect concentration y. Coupled with x-ray and neutron diffraction data presented in a companion paper, we find that long-range antiferromagnetic order develops with increasing y out of a nonmagnetic ground state at y--0 into a state with a maximum Neel temperature of 290 K at yapprox. =0.03.

153 citations

Journal ArticleDOI
TL;DR: An overview on current regulations of chemicals and the requirements for animal tests in environmental hazard and risk assessment is provided and the potential areas for alternative approaches to animal tests using vertebrates in environmental toxicology are highlighted.

153 citations

Journal ArticleDOI
TL;DR: The chemisorption and catalytic properties of ruthenium-copper catalysts with a metal dispersion of the order of 1%, in which the dispersion refers to the fraction of metal atoms present in the surface, were investigated in this article.

153 citations


Authors

Showing all 16987 results

NameH-indexPapersCitations
David A. Weitz1781038114182
Avelino Corma134104989095
Peter Hall132164085019
James A. Dumesic11861558935
Robert H. Crabtree11367848634
Costas M. Soukoulis10864450208
Nicholas J. Turro104113153827
Edwin L. Thomas10460640819
Israel E. Wachs10342732029
Andrew I. Cooper9938934700
Michael J. Zaworotko9751944441
Enrique Iglesia9641631934
Yves J. Chabal9451933820
George E. Gehrels9245430560
Ping Sheng9059337141
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Performance
Metrics
No. of papers from the Institution in previous years
YearPapers
20234
202236
2021302
2020340
2019366
2018438