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2.164 Aktuelle Fachpublikationen zum Thema temperature

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Facile Synthesis of Ba1–xKxFe2As2 Superconductors via Hydride Route

21.11.2014 | Julia V. Zaikina; Maria Batuk; Artem M. Abakumov; Alexandra Navrotsky; Susan M. Kauzlarich, Journal of the American Chemical Society, 2014

We have developed a fast, easy, and scalable synthesis method for Ba1–xKxFe2As2 (0 ≤ x ≤ 1) superconductors using hydrides BaH2 and KH as a source of barium and potassium metals. Synthesis from hydrides provides better mixing and easier handling of the starting materials, consequently leading to ...

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Disordered Atom Molecular Potential for Water Parameterized against Neutron Diffraction Data. Application to the Structure of Ice Ih

20.11.2014 | Alan K. Soper, Journal of Physical Chemistry B, 2014

A disordered atom molecular potential (DAMP) for water is described that accurately accounts for the observed neutron interference differential scattering cross sections for light water, heavy water, and two different mixtures of these liquids (x = 0.5 and x = 0.64, where x is the mole fraction ...

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Submicrometer‐Sized ZIF‐71 Filled Organophilic Membranes for Improved Bioethanol Recovery: Mechanistic In‐Sights by Monte Carlo Simulation and FTIR Spectroscopy

19.11.2014 | Lik H. Wee, Yanbo Li, Kang Zhang, Patrizia Davit, Silvia Bordiga, Jianwen Jiang, Ivo F. J. Vankelecom, Johan A. Martens, Advanced Functional Materials, 2014

Template‐free self‐assembly synthesis of nano‐sized metal‐organic frameworks (MOFs) is of particular interest in MOF research since organized nanostructures possessing distinctive properties are useful for many advanced applications. In this work, the facile room temperature synthesis of robust ...

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Reactive Molecular Dynamics Study of the pH-Dependent Dynamic Structure of α-Helix

17.11.2014 | M. Golkaram; Y. K. Shin; A. C. T. van Duin, Journal of Physical Chemistry B, 2014

We have studied the α-helix to random coil transition using ReaxFF reactive molecular dynamics as a function of pH. Urea binding to peptides and associated interference with backbone H-bonds and charged side chains interactions, which can both denature the helices, have been studied previously ...

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Syntheses of Enantiopure Bifunctional 2-Guanidinobenzimidazole Cyclopentadienyl Ruthenium Complexes: Highly Enantioselective Organometallic Hydrogen Bond Donor Catalysts for Carbon–Carbon Bond Forming Reactions

17.11.2014 | Tathagata Mukherjee; Carola Ganzmann; Nattamai Bhuvanesh; John A. Gladysz, Organometallics, 2014

2-Guanidinobenzimidazole (GBI) derivatives with a NHR group in place of NH2 (R: a, CH2Ph; b, (SC)-CH(CH3)Ph; c, (RCRC)-CH(CH2)4CHNMe2; d, (RCRC)-CH(CH2)4CH-NCH2(CH2)3CH2) are prepared in four steps from 2-aminobenzimidazole. Reactions with [(η5-C5H5)Ru(CO)(NCCH3)2]+PF6– (5+PF6–) afford the ...

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A comprehensive search of topologically distinct local minimum structures of protonated water octamer and the classification of OH topological types

16.11.2014 | Author(s): Dai Akase , Hiroyuki Teramae , Misako Aida, Chemical Physics Letters, 2014

Publication date: 2 January 2015 Source:Chemical Physics Letters, Volume 618 Author(s): Dai Akase , Hiroyuki Teramae , Misako Aida The rooted digraph is used to topologically distinguish the isomers of protonated water (PW) cluster. We generated many PW octamer geometries and obtained ...

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Light-induced, site-selective isomerization of glyoxylic acid in solid xenon

16.11.2014 | Author(s): Adriana Olbert-Majkut , Maria Wierzejewska , Jan Lundell, Chemical Physics Letters, 2014

Publication date: 25 November 2014 Source:Chemical Physics Letters, Volumes 616–617 Author(s): Adriana Olbert-Majkut , Maria Wierzejewska , Jan Lundell The isomerization of glyoxylic acid (GA) and its water complex was studied in a low temperature xenon matrix. The aim of these studies ...

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Nanopatterned Superlattices in Self‐Assembled C2‐Symmetric Oligodimethylsiloxane‐Based Benzene‐1,3,5‐Tricarboxamides

14.11.2014 | Miguel García‐Iglesias, Bas F. M. de Waal, Isja de Feijter, Anja R. A. Palmans, E. W. Meijer, Chemistry - A European Journal, 2014

Abstract The synthesis of C3‐ and C2‐symmetric benzene‐1,3,5‐tricarboxamides (BTAs) containing well‐defined oligodimethylsiloxane (oDMS) and/or alkyl side chains has been carried out. The influence of the bulkiness of the oDMS chains in the aggregation behavior of dilute solutions of the ...

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Synthesis of Low-Valent Nickel Complexes in Aqueous Media, Mechanistic Insights, and Selected Applications

14.11.2014 | Illán Morales-Becerril; Marcos Flores-Álamo; Adrián Tlahuext-Aca; Alma Arévalo; Juventino J. García, Organometallics, 2014

The synthesis of nickel(0) complexes usually requires the employment of strong reducing agents, including powerful hydride donors such as LiHBEt3, LiAlH4, and DIBAL-H. Herein, we have reduced the Ni(II) complex [(dippe)NiCl2] (1a) at room temperature by using KOH in aqueous media to yield the ...

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Decomposition mechanisms of cured epoxy resins in near‐critical water

13.11.2014 | Xianyun Gong, Yuyan Liu, Songquan Wu, Daowei Ding, Huige Wei, Zhanhu Guo, Journal of Applied Polymer Science, 2014

ABSTRACT A reaction mechanism based on the near‐critical water homolysis of bonds in the cured epoxy followed by the saturation of the resulting radicals by hydrogen abstraction from the donor was discussed. The compounds evolved during degradation were identified by gas chromatography and ...

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