1 Centro de Ciencias de la Atmósfera, Universidad Nacional Autónoma de México, Ciudad Universitaria, 04510, Mexico City, Mexico 2 School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, GA 30332-0100, USA 3 School of Earth and Atmospheric Sciences Georgia Institute of Technology, 311 Ferst Drive, Atlanta, GA 30332-0100, USA 4 Posgrado en Cienc...

ISORROPIA II: a computationally efficient thermodynamic equilibrium model for KCa–Mg–NH4–Na –SO 4 –NO − 3–Cl –H2O aerosols C. Fountoukis and A. Nenes School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, GA 30332-0100, USA School of Earth and Atmospheric Sciences, Georgia Institute of Technology, 311 Ferst Drive, Atlanta, GA 30332-0100, USA ...

The vibrational frequencies of N-benzoyl glycine in the ground state have been calculated using density functional method (B3LYP) by using 6-311++G(d,p) basis set. Theoretical vibrational spectra have been interpreted by means of potential energy distribution (PEDs) using MOLVIB program. The equilibrium geometry and the thermodynamic functions of the title compound have been performed at HF/6-3...

The in-plane optical anisotropy which comes from the heavy-hole and the light-hole transitions in InAs submonolayers inserted in a ~311!-oriented GaAs matrix is studied by reflectance-difference spectroscopy ~RDS!. The steplike density of states obtained from RDS demonstrates that the ultrathin InAs layers should be regarded as two-dimensional quantum wells rather than isolated clusters, even f...

Infrared multiple photon dissociation (IRMPD) action spectra of the protonated forms of 2'-deoxyguanosine-5'-monophosphate and guanosine-5'-monophosphate, [pdGuo+H](+) and [pGuo+H](+), are measured over the IR fingerprint and hydrogen-stretching regions using the FELIX free electron laser and an OPO/OPA laser system. Electronic structure calculations are performed to generate low-energy conform...

There is a pressing need to find a sustainable alternative to fossil fuels that will not compromise food security or require extensive use of agrochemicals. Miscanthus is a perennial energy grass predominantly used for combustion but with the current advancement of ligno-cellulosic fermentation technologies there is an interest in using Miscanthus for bioethanol production. Currently, the only ...

Three skeletal rearrangement channels for the norbornadiene (N*+) to the 1,3,5-cycloheptatriene (CHT*+) radical cation conversion, initialized by opening a bridgehead-methylene bond in N*+, are investigated using the quantum chemical B3LYP, MP2 and CCSD(T) methods in conjunction with the 6-311 +G(d,p) basis set. Two of the isomerizations proceed through the norcaradiene radical cation (NCD*+), ...

Accurate modeling of extended defect kinetics is of primary importance for prediction of transient enhanced diffusion ~TED! following ion implantation of silicon. Our previously developed moment-based model @Gencer and Dunham, J. Appl. Phys. 81, 631 ~1997!# accurately accounts for formation and evolution of $311% defects and can be used to predict TED under subamorphizing conditions. Using expe...

While urban systems demonstrate high spatial heterogeneity, many urban planning, economic and political decisions heavily rely on a deep understanding of local neighborhood contexts. We show that the structure of 311 Service Requests enables one possible way of building a unique signature of the local urban context, thus being able to serve as a low-cost decision support tool for urban stakehol...

www.sciencemag.org (this information is current as of April 23, 2008 ): The following resources related to this article are available online at http://www.sciencemag.org/cgi/content/full/311/5765/1297 version of this article at: including high-resolution figures, can be found in the online Updated information and services, http://www.sciencemag.org/cgi/content/full/311/5765/1297/DC1 can be foun...