Environmental Molecular Sciences Laboratory

About: Environmental Molecular Sciences Laboratory is a facility organization based out in Richland, Washington, United States. It is known for research contribution in the topics: Mass spectrometry & X-ray photoelectron spectroscopy. The organization has 1471 authors who have published 3010 publications receiving 169961 citations.

Decoding Signal Processing at the Single-Cell Level

Abstract: The feedforward circuitry regulating ERK-dependent early response genes acts as a signal integrator rather than a signal persistence detector.

Anharmonic force constants of helical molecules

Abstract: Central to our anharmonic potential–effective charge method of computing relative Raman intensities of large helical molecules, such as DNA, are the anharmonic force constants of such molecules. We have thus been led to derive explicit expressions of them and to study their properties. These properties prove to be indispensable in carrying out the computational steps leading to the final Raman intensity expressions for helical molecules. A general expression of cubic force constants of a helical molecule is presented and its properties discussed. Explicit expressions are listed for the cases of stretch and anglebend contributions. Other uses of the anharmonic force constants are also discussed. © 1995 John Wiley & Sons, Inc.

Photoelectron Spectroscopy of Doubly and Singly Charged Group VIB Dimetalate Anions: M2O72-, MM′O72-, and M2O7- (M, M′: Cr, Mo, W).

Abstract: We produced both doubly and singly charged Group VIB dimetalate species-M2O7 2-, MM'O72-, and M2O7 - (M, M'=) Cr, Mo, W)susing two different experimental techniques (electrospray ionization for the doubly charged anions and laser vaporization for the singly charged anions) and investigated their electronic and geometric structures using photoelectron spectroscopy and density functional calculations. Distinct changes in the electronic and geometric structures were observed as a function of the metal and charge state. The electron binding energies of the heteronuclear dianions MM'O7 2- were observed to be roughly the average of those of their homonuclear counterparts (M2O7 2- and M'2O7 2-). Density functional calculations indicated that W2O7 2-, W2O7-, and W2O7 possess different ground-state structures: the dianion is highly symmetric (D3d,1A1g) with a single bridging oxo ligand, the monoanion is a doublet (C1, 2A) with two bridging oxo ligands and a radical terminal oxo ligand, whereas the neutral is a singlet (C1, 1A) with two bridging oxo ligands and a terminal peroxo ligand. The combined experimental and theoretical study provides insights into the evolution of geometric and electronic structures as a function of charge state. The clusters identified might provide insights into the possible structures of reactive species present inmore » early transition-metal oxide catalysts that are relevant to their reactivity and catalytic function.« less

Observation of d-Orbital Aromaticity.

Abstract: While main group clusters can give rise to s- and p-aromaticity, transition-metal-containing clusters can exhibitd-orbitalaromaticityor,moreinterestingly,d-aromaticitydueto d bonding interactions. However, d-orbital aromaticityrequiressignificantd–dbondinginteractions.Unlikevalentsor p orbitals, d orbitals are spatially more contracted, andtheir tendency to participate in chemical bonding dependsstrongly on the position of the transition metals in theperiodic table and their coordination environments. ThepredictedaromaticityinthecyclicCu-containingspecies,