05.04.2013 | Benjamin D. Cons; Adam J. Bunt; Christopher D. Bailey; Christine L. Willis, Organic Letters, 2013

Organic Letters DOI: 10.1021/ol400736w

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05.04.2013 | M. A. García-Revilla; E. Francisco; A. Martín Pendás; J. M. Recio; M. Bartolomei; M. I. Hernández; J. Campos-Martíne ..., Journal of Chemical Theory and Computation, 2013

The chemical interactions and spin structure of (O2)4 in its ground singlet state are analyzed by means of Quantum Chemical Topology descriptors. The energetic contributions of the Interacting Quantum Atoms approach are used to obtain information about the class of interactions displayed ...

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05.04.2013 | George N. Khairallah; Charlene C. L. Thum; Denis Lesage; Jean-Claude Tabet; Richard A. J. O’Hair, Organometallics, 2013

A range of mononuclear organomagnesates [RMgX2]− were generated in the gas phase by decarboxylation of the magnesium carboxylate precursors [RCO2MgX2]− (R = Me, Et, Pr, iPr, tBu, vinyl, allyl, HC≡C, Ph, PhCH2, PhCH2CH2; X = Cl, Br, I). The gas-phase formation and unimolecular reactivity of ...

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05.04.2013 | A. Demont; D. Pelloquin; S. Hébert; M. Hervieu; J. Höwing; A. Maignan, Inorganic Chemistry, 2013

The oxycarbonate Sr7Co4(CO3)O11.36 exhibits a peculiar structure that has been characterized by combining transmission electron microscopy analyses and neutron diffraction. It consists of a regular intergrowth between the m = 2 and carbonated m = 3 members of the Srm+1ComO3m+1 ...

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05.04.2013 | Peng Wei; Nan Liu; Hye Ryoung Lee; Eric Adijanto; Lijie Ci; Benjamin D. Naab; Jian Qiang Zhong; Jinseong Park; Wei C ..., Nano Letters, 2013

Controlling the Dirac point of graphene is essential for complementary circuits. Here, we describe the use of 2-(2-methoxyphenyl)-1,3-dimethyl-2,3-dihydro-1H-benzoimidazole (o-MeO-DMBI) as a strong n-type dopant for chemical-vapor-deposition (CVD) grown graphene. The Dirac point of graphene ...

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05.04.2013 | Guiling Zhang; Kejuan Chen; Hui Chen; Jiannian Yao; Sason Shaik, Inorganic Chemistry, 2013

Mononuclear Ru-based water oxidation catalysts (WOCs) constitute an important class of WOCs for water splitting. This work constitutes a systematic study of Ru–O2 complexes of mononuclear ruthenium WOCs, with a focus on the thermodynamics of water-assisted O2 release in various electronic ...

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05.04.2013 | Rafaela A. L. Silva; Ana I. S. Neves; Elsa B. Lopes; Isabel C. Santos; Joana T. Coutinho; Laura C. J. Pereira; Conce ..., Inorganic Chemistry, 2013

The synthesis and characterization of (α-DT-TTF)2[Au(mnt)2] is reported. The magnetic properties of this new salt show that it is still a rare example of an organic spin-ladder. (α-DT-TTF)2[Au(mnt)2] shares the same ladder structure of the DT-TTF and ETT-TTF analogues, and its room ...

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05.04.2013 | Pablo Carbonell; Lars Carlsson; Jean-Loup Faulon, Journal of Chemical Information and Modeling, 2013

We present an algorithm to compute molecular graph descriptors considering the stereochemistry of the molecular structure based on our previously introduced signature molecular descriptor. The algorithm can generate two types of descriptors, one which is compliant with the Cahn–Ingold–Prelog ...

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05.04.2013 | Dmitri D. A. Joseph; Wanting Jiao; Emily J. Parker, Biochemistry, 2013

The sialic acid N-acetylneuraminic acid (NANA) has a key role in the pathogenesis of a select number of neuroinvasive bacteria such as Neisseria meningitidis. These pathogens coat themselves with polysialic acids, mimicking the exterior surface of mammalian cells and consequentially ...

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05.04.2013 | Crystal Smitherman; Giovanni Gadda, Biochemistry, 2013

Nitronate monooxygenase is a flavin-dependent enzyme that catalyzes the denitrification of propionate 3-nitronate (P3N) and other alkyl nitronates. The enzyme was previously known as 2-nitropropane dioxygenase, until its reclassification in 2010 by the IUBMB. Physiologically, the ...

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