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Cover Image, Volume 34, Issue 31

作者信息未提供2013-10-24Journal of Computational Chemistry

By following the scheme of the grid empowered molecular simulator (GEMS), Leonardo Pacifici, Marco Verdicchio, Noelia Faginas Lago, Andrea Lombardi, and Alessandro Costantini on page 2668 calculate an extended set of high-level abinitio electronic energy values. The calculated values are fitted using a many-body expan…

Ammonia Synthesis and Nitrogen ReductionAdvanced Chemical Physics StudiesMachine Learning in Materials Science

BR-2: the maximum credible accident. Procedure and consequences

H. Dopchie、J. Juliens、L. Vandewiele2013-10-24OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information)

Calculations were made based on extremely conservative assumptions including the dispersion of all volatile fission products in the building, the complete burning of 670 lb of sodium, extreme weather conditions, and the possibility that somebody may remain for an hour in the axis of the very narrow plume leaking out o…

Nuclear and radioactivity studiesRadioactive contamination and transferGraphite, nuclear technology, radiation studies

Intersil Space Products: New Products for the Space Market

J. Broline2013-10-24Institutional Repositories DataBase (IRDB)

Meeting Information: The 26th Microelectronics Workshop (MEWS26) (October 24-25, 2013. Tsukuba International Congress Center), Tsukuba, Ibaraki, Japan

Silicone and Siloxane ChemistrySpacecraft Design and TechnologySpace Technology and Applications

Sambungan Adesif Model Tirus-Dalam untuk Pipa Komposit yang Mendapat Beban TekananInternal

Jamiatul Akmal2013-10-24OpenAlex

Sambungan adesif biasa dipakai untuk menyambung pipa komposit. Persoalan yang sering terjadi adalah adanya kebocoran jika pipa mendapat tekanan internal. Berdasarkan analisis yang dilakukan, diketahui bahwa distribusi tegangan pada lapisan adesif tidak merata, tetapi terkonsentrasi di pinggir sambungan., Pada studi in…

Material Selection and Properties

Manipulating femtosecond magnetism through pressure: First-principles calculations

Mingsu Si、Li, J. Y.、Xue, D. S. 等 4 位作者2013-10-24arXiv (Cornell University)

Inspired by a recent pressure experiment in fcc Ni, we propose a simple method to use pressure to investigate the laser-induced femtosecond magnetism. Since the pressure effect on the electronic and magnetic properties can be well controlled experimentally, this leaves little room for ambiguity when compared with theo…

Diamond and Carbon-based Materials ResearchTransition Metal Oxide NanomaterialsHigh-pressure geophysics and materials

ChemInform Abstract: Radical Addition to Acrylonitrile via Catalytic Photochemical Decarboxylation of Aliphatic Carboxylic Acids.

Yasuharu Yoshimi、Sonoka Washida、Yoshiki Okita 等 7 位作者2013-10-24ChemInform

Abstract Photoinduced electron transfer promoted decarboxylation of carboxylic acids in the presence of phenanthrene and 1,4‐dicyanonaphthalene as electron acceptor promotes a radical reaction with acrylonitrile to afford nitriles (III).

Sulfur-Based Synthesis TechniquesPolyoxometalates: Synthesis and ApplicationsRadical Photochemical Reactions

ChemInform Abstract: Rich Crystal Chemistry and Magnetism of “114” Stoichiometric LnBaFe4O7.0 Ferrites.

Victor Duffort、V. Caignaert、V. Pralong 等 6 位作者2013-10-24ChemInform

Abstract Title compounds with Ln: Dy, Ho, Er, Tm, Yb, and Lu are synthesized from stoichiometric mixtures of Ln2O3, BaFe2O4, Fe2O3, and Fe (1100 °C, 24 h) and from solutions of Ln2O3, BaCO3, and Fe(C2O4) in molten citric acid, followed by calcination (900 °C for 6 h and 1050 °C for 24 h).

Multiferroics and related materialsMagnetic Properties and Synthesis of FerritesMagnetic and transport properties of perovskites and related materials

ChemInform Abstract: Hexagonal‐Diamond‐Like Gold Lattices, Ba and (Au,T)3 Interstitials, and Delocalized Bonding in a Family of Intermetallic Phases Ba2Au6(Au,T)3 (T: Zn, Cd, Ga, In, or Sn).

Qisheng Lin、Trinath Mishra、John D. Corbett2013-10-24ChemInform

Abstract The title intermetallic phases are prepared from the elements at 700—800 °C for 6—10 h followed by annealing at 400—500 °C for 7—14 d.

Inorganic Chemistry and MaterialsRare-earth and actinide compoundsBoron and Carbon Nanomaterials Research

ChemInform Abstract: Stimuli Responsive Materials

Patrick Théato、Brent S. Sumerlin、Rachel K. O’Reilly 等 4 位作者2013-10-24ChemInform

Abstract Review: special issue with 23 reviews; <1000 refs.

Mesoporous Materials and CatalysisSilicone and Siloxane ChemistrySupramolecular Self-Assembly in Materials

ChemInform Abstract: Synthesis of Annulated Oligothiophenes.

Valentine G. Nenajdenko、Е. С. Баленкова、Konstantin Chernichenko 等 4 位作者2013-10-24ChemInform

Abstract In addition to the high temperature protocol for the synthesis of the title compounds an alternative method for the preparation of helicene is developed.

Photochromic and Fluorescence ChemistrySynthesis and Properties of Aromatic CompoundsOrigins and Evolution of Life