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25,967 Newest Publications about the topic solution

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Unimolecular Reaction Chemistry of a Charge-Tagged beta-Hydroxyperoxyl Radical

15-10-2014 | Sui So; Benjamin Kirk; Adam Trevitt; Uta Wille; Stephen Blanksby; Gabriel da Silva, Physical Chemistry Chemical Physics, 2014

-Hydroxyperoxyl radicals are formed in the atmospheric oxidation of unsaturated volatile organic compounds such as isoprene and are intermediates in the combustion of alcohols. In these environments the unimolecular isomerization and decomposition of -hydroxyperoxyl radicals may be of ...

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Structural aesthetics in molecular nanoscience: A unique Ni26 cluster with a ‘rabbit-face’ topology and a discrete Ni18 ‘molecular chain’

15-10-2014 | Angeliki Athanasopoulou; Melanie Pilkington; Catherine Raptopoulou; Albert Escuer; Dr Theocharis Stamatatos, Chemical Communication, 2014

The use of a previously unexplored Schiff-base ligand in Ni(II) carboxylate chemistry has afforded a Ni26 cluster with a record nuclearity that crystallizes with a unique ‘rabbit-face’-like topology, and a Ni18 compound that adopts an unusual ‘molecular chain’ structure.

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Alkali metal salts of formazanate ligands: diverse coordination modes as a result of the nitrogen-rich [NNCNN] ligand backbone

15-10-2014 | Edwin Otten; Raquel Travieso-Puente; Mu-Chieh Chang, Dalton Transactions, 2014

Alkali metal salts of redox-active formazanate ligands were prepared, and their structures in the solid-state and solution determined. The nitrogen-rich [NNCNN] backbone of formazanates results in a varied coordination chemistry, with both the internal and terminal nitrogen atoms available for ...

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Computing power revolution and new algorithms: GP-GPUs, clouds and more: general discussion

15-10-2014 | Faraday Discussions, 2014

Faraday Discuss., 2014, Advance ArticleDOI: 10.1039/C4FD90021A, Discussion To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry

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Virtual and augmented reality immersive molecular simulations: general discussion

15-10-2014 | Faraday Discussions, 2014

Faraday Discuss., 2014, Advance ArticleDOI: 10.1039/C4FD90019G, Discussion To cite this article before page numbers are assigned, use the DOI form of citation above.The content of this RSS Feed (c) The Royal Society of Chemistry

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Comparison of Direct Dynamics Simulations with Different Electronic Structure Methods. F- + CH3I with MP2 and DFT/B97-1

15-10-2014 | Rui Sun; Collin Davda; Jiaxu Zhang; William Hase, Physical Chemistry Chemical Physics, 2014

Phys. Chem. Chem. Phys., 2014, Accepted ManuscriptDOI: 10.1039/C4CP03589E, Paper Rui Sun, Collin Davda, Jiaxu Zhang, William HaseThis is an Accepted Manuscript, which has been through the RSC Publishing peer review process and has been accepted for publication. Accepted manuscripts are published ...

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Templated DNA ligation with thiol chemistry

15-10-2014 | Dadong Li; Xiaojian Wang; Fubo Shi; Ruojie Sha; Nadrian C. Seeman; James W. Canary, Organic & Biomolecular Chemistry, 2014

We describe two DNA-templated ligation strategies: native chemical ligation (NCL), and thiol-disulfide exchange. Both systems result in successful ligation in the presence of a DNA template. The stability of the product from the NCL reaction relies on exogenous thiol, while the thiol-disulfide ...

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Chemical reaction dynamics I and electron dynamics in molecules: general discussion

15-10-2014 | Oriol Vendrell; Jochen Küpper; Martin Wolf; Henry Chapman; Majed Chergui; Katharine Reid; Klaus von Haeften; Robert ..., Faraday Discussions, 2014

Faraday Discuss., 2014, Advance ArticleDOI: 10.1039/C4FD90014F, Discussion Oriol Vendrell, Jochen Kupper, Martin Wolf, Henry Chapman, Majed Chergui, Katharine Reid, Klaus von Haeften, Robert Moshammer, Gwyn Williams, Andres Tehlar, Gopal Dixit, Hans Jakob Worner, Jonathan Underwood, Jonathan ...

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Formaldehyde chemistry in cometary ices: the case of HOCH2OH formation

15-10-2014 | F. Duvernay; A. Rimola; P. Theule; G. Danger; T. Sanchez; T. Chiavassa, Physical Chemistry Chemical Physics, 2014

Laboratory experiments devoted to simulate the chemistry occurring in interstellar and cometary ice analogues are of paramount importance to understand the formation of complex organic molecules that are detected throughout the universe. These laboratory simulations provide relevant hints on the ...

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