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From:PLoS ONE (Vol. 8, Issue 3) Peer-ReviewedAuthor(s): Dominik Brox 1 , Alexander Kiel 1 , Svenja Johanna Wörner 2 , Markus Pernpointner 2 , Peter Comba 3 , Bodo Martin 3 , Dirk-Peter Herten 1 , * Introduction Fluorescent probes are of general importance...
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From:Canadian Journal of Chemistry (Vol. 93, Issue 10) Peer-ReviewedFull geometry optimization using the BP86 and B3LYP methods has been carried out for all of the low-energy isomers of half-sandwich [L.sub.3]M(Tphn) (Tphn = triphenylene, M = Ti-Ni, and [L.sub.3] = [(CO).sub.3],...
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From:Contributions to Mineralogy and Petrology (Vol. 165, Issue 1) Peer-Reviewed
Nickel-rich metasomatism of the lithospheric mantle by pre-kimberlitic alkali-S-Cl-rich C-O-H fluids
Abstract Metasomatism of the lithospheric mantle sometimes produces unusual assemblages containing native metals and alloys, which provide important insight into metasomatic processes in the mantle. In this study, we... -
From:Canadian Journal of Chemistry (Vol. 87, Issue 7) Peer-ReviewedWe have computationally explored C-X bond activation by the group-11 transition-metal cations [Cu.sup.+], [Ag.sup.+], and [Au.sup.+], and, for comparison, Pd, using relativistic density functional theory (DFT) at...
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From:Journal of the Chemical Society of Pakistan (Vol. 38, Issue 3) Peer-ReviewedByline: Shahbaz Nazir, Jamil Anwar, Munawar Ali Munawar, Stephen Peter Best, Michael Cheah, waqar Nasir, Amjad Ayub Bhatti and Peter Wichta Summary: Four transition metal complexes of the type M(L)2 ( M= Co, Ni, Cu,...
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From:Science (Vol. 275, Issue 5300) Peer-ReviewedMagnetic collapse in transition metal ions is predicted from first-principles computations at pressures reached in the Earth's lower mantle and core. Magnetic collapse would lead to marked changes in geophysically...
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From:PLoS ONE (Vol. 9, Issue 3) Peer-ReviewedAuthor(s): Xiaofeng Fan 1, Weitao Zheng 1, Xin Chen 2, David J. Singh 2,* Introduction Oxide electronics is an exciting area that is also of great potential technological importance. This arises from the wide...
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From:Canadian Journal of Chemistry (Vol. 94, Issue 12) Peer-ReviewedAbstract: Multireference electronic structure methods are used to assign ground state electronic configurations for a series of metallophthalocyanines. Ligand orbital occupancies remain constant across the period and...
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From:Journal of the Statistical and Social Inquiry Society of Ireland (Vol. 47) Peer-ReviewedPart 2 of 2 The need for 2D semiconductors has been described in Chapter 1, as has the suitability of TMDs for a myriad of applications in future electronics. TAC produces polycrystalline films in a scalable,...
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From:Journal of the Chemical Society of Pakistan (Vol. 37, Issue 3) Peer-ReviewedByline: Shoaib Muhammad, Firdous Imran Ali, Afshan Aslam, Viqar Uddin Ahmad, Ahmad Nawaz Khan and Imran Ali Hashmi Summary: Two new hydrophobic ionic liquids were synthesized through ion exchange metathesis and...
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From:Frontiers of Physics (Vol. 17, Issue 2) Peer-ReviewedInstead of the energy-intensive Haber-Bosch process, electrochemical nitrogen reduction reaction (NRR) is an exciting new carbon neutral technique for ammonia synthesis under ambient conditions. In this work, we...
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From:Canadian Journal of Chemistry (Vol. 84, Issue 2) Peer-ReviewedThe copper tellurolate cluster [[([Cu.sub.6](TePh).sub.6][(Pet[Ph.sub.2]).sub.5]] (1) has been loaded into the pores of a trimethylsilylated MEM-41 (TMS-MCM-41) framework. Solutions of 1 in tetrahydrofuran lead to good...
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From:Oil Shale (Vol. 34, Issue 4) Peer-ReviewedIn this paper, the effect of several transition metal salts such as Fe[Cl.sub.2]*[4H.sub.2]O, Co[Cl.sub.2]*[6H.sub.2]O, Ni[Cl.sub.2]*[6H.sub.2]O and Zn[Cl.sub.2] on oil shale pyrolysis was investigated, based on thermal...
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From:Canadian Journal of Chemistry (Vol. 87, Issue 7) Peer-ReviewedA bond descriptor based on the kinetic-energy density, the localized-orbital locator (LOL), is used to characterize the nature of the chemical bond in transition-metal hydride and dihydrogen complexes. Cationic...
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From:Science (Vol. 303, Issue 5657) Peer-ReviewedDiffusion of oxygen molecules on transition metal oxide surfaces plays a vital role for the understanding of catalysis and photocatalysis on these materials. By means of time-resolved scanning tunneling microscopy, we...
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From:Nature (Vol. 487, Issue 7407) Peer-ReviewedElectron-electron interactions can render an otherwise conducting material insulating (1), with the insulator-metal phase transition in correlated-electron materials being the canonical macroscopic manifestation of the...
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From:Journal of NanomaterialsPeer-ReviewedThe optimum composition of cathode catalyst has been studied for rechargeable zinc air battery application. [La.sub.0.9][Ca.sub.0.1][Co.sub.1-x][Fe.sub.x][O.sub.3] (x = 0-0.4) perovskite powders were prepared using the...
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From:Canadian Journal of Physics (Vol. 90, Issue 4) Peer-ReviewedWe have investigated the elastic and thermodynamic properties of transition metal carbides (TiC, ZrC, HfC, VC, NbC, and TaC) using the three body force potential model and density functional theory based ab initio...
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From:Canadian Journal of Chemistry (Vol. 84, Issue 2) Peer-ReviewedThree novel rhodium(I) acetylacetonato (acac) complexes bearing phosphinoalkynes ([Ph.sub.2]PC[equivalent to]C-t-Bu, [Ph.sub.2]PC[equivalent to]CP[Ph.sub.2], and [Ph.sub.2]PC[equivalent to]CC[equivalent...
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From:Journal of the Statistical and Social Inquiry Society of Ireland (Vol. 47) Peer-Reviewed2D transitional metal dichalcogenides (TMDs) are of major interest to the research and electrical engineering community. A number of TMDs are semiconducting and have a wide range of bandgaps, they can exhibit n- or...