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Molecular geometries and relative stabilities of titanium oxide and gold-titanium oxide clusters

16-Oct-2016 | Author(s): Rohan J. Hudson, Alexander Falcinella, Gregory F. Metha, Chemical Physics, 2016

Publication date: 30 September 2016 Source:Chemical Physics, Volume 477 Author(s): Rohan J. Hudson, Alexander Falcinella, Gregory F. Metha Titanium oxide and gold-titanium oxide clusters of stoichiometry M x O y (M x =Ti3, Ti4 & AuTi3; y =0−(2x +2)) have been investigated using ...


Does adsorption of dissolved organic carbon and thorium onto membrane filters affect the carbon to thorium ratios, a primary parameter in estimating export carbon flux?

16-Oct-2016 | Author(s): Kuanbo Zhou, Kanchan Maiti, Minhan Dai, Shuh-Ji Kao, Ken Buesseler, Marine Chemistry, 2016

Publication date: 20 August 2016 Source:Marine Chemistry, Volume 184 Author(s): Kuanbo Zhou, Kanchan Maiti, Minhan Dai, Shuh-Ji Kao, Ken Buesseler The particulate organic carbon (POC) to 234Th ratio, or POC/234Th, is crucial to constrain the 234Th-derived downward export flux. ...


Energies, Vol. 9, Pages 830: Effects of Freestream Turbulence in a Model Wind Turbine Wake

15-Oct-2016 | Jin, Yaqing ; Liu, Huiwen ; Aggarwal, Rajan ; Singh, Arvind ; Chamorro, Leonardo P., Energies, 2016

The flow structure in the wake of a model wind turbine is explored under negligible and high turbulence in the freestream region of a wind tunnel at R e ∼ 7 × 10 4 . Attention is placed on the evolution of the integral scale and the contribution of the large-scale motions from the ...


Energies, Vol. 9, Pages 828: A Novel Data Hierarchical Fusion Method for Gas Turbine Engine Performance Fault Diagnosis

15-Oct-2016 | Lu, Feng ; Jiang, Chunyu ; Huang, Jinquan ; Wang, Yafan ; You, Chengxin, Energies, 2016

Gas path fault diagnosis involves the effective utilization of condition-based sensor signals along engine gas path to accurately identify engine performance failure. The rapid development of information processing technology has led to the use of multiple-source information fusion for fault ...


Asymmetric Anion–π Catalysis on Perylenediimides

14-Oct-2016 | Chao Wang, François N. Miros, Jiri Mareda, Naomi Sakai, Stefan Matile, Angewandte Chemie International Edition, 2016

Abstract Anion–π catalysis, that is the stabilization of anionic transition states on π‐acidic aromatic surfaces, has so far been developed with naphthalenediimides (NDIs). This report introduces perylenediimides (PDIs) to anion–π catalysis. The quadrupole moment of PDIs (+23.2 B) is found to ...


Hole‐Transport Materials for Perovskite Solar Cells

14-Oct-2016 | Laura Calió, Samrana Kazim, Michael Grätzel, Shahzada Ahmad, Angewandte Chemie International Edition, 2016

Abstract The pressure to move towards renewable energy has inspired researchers to look for ideas in photovoltaics that may lead to a major breakthrough. Recently the use of perovskites as a light harvester has lead to stunning progress. The power conversion efficiency of perovskite solar ...


Reintroducing Guanaco in the Upper Belt of Central Argentina: Using Population Viability Analysis to Evaluate Extinction Risk and Management Priorities

14-Oct-2016 | Fernando Rafael Barri, PLoS ONE, 2016

by Fernando Rafael Barri Wildlife reintroduction is an increasingly used strategy to reverse anthropocene defaunation. For the purpose of ecosystem restoration, in 2007 the guanaco (Lama guanicoe) was reintroduced to the Quebrada del Condorito National Park, situated in the mountains of central ...


Synthesis of Hierarchically Porous Sandwich‐Like Carbon Materials for High‐Performance Supercapacitors

13-Oct-2016 | Yiju Li, Chaoji Chen, Tingting Gao, Dongming Zhang, Xiaomei Huang, Yue Pan, Ke Ye, Kui Cheng, Dianxue Cao, Guiling Wang, Chemistry - A European Journal, 2016

Abstract For the first time, hierarchically porous carbon materials with a sandwich‐like structure are synthesized through a facile and efficient tri‐template approach. The hierarchically porous microstructures consist of abundant macropores and numerous micropores embedded into the ...


Proteases and their Inhibitors: From Basic to High Throughput Screening

13-Oct-2016 | Casas-Godoy, Leticia; Sandoval, Georgina, Combinatorial Chemistry, 2016

Abstract: Proteases constitute one of the most important groups of industrial enzymes with a worldwide value expected to reach 2.7 billion US dollars by 2019. Proteases represent a group of enzymes that hydrolyze the peptide bonds of proteins, releasing polypeptides or free amino acids. ...


Revisiting the Dielectric Constant Effect on the Nucleophile and Leaving Group of Prototypical Backside SN2 Reactions: A Reaction Force and Atomic Contribution Analysis

13-Oct-2016 | Laura Pedraza-González; Johan F. Galindo; Ronald González; Andrés Reyes, Journal of Physical Chemistry A, 2016

The solvent effect on the nucleophile and leaving group atoms of the prototypical F– + CH3Cl → CH3F + Cl– backside bimolecular nucleophilic substitution reaction (SN2) is analyzed employing the reaction force and the atomic contributions methods on the intrinsic reaction coordinate (IRC). Solvent ...


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