\u3cem\u3eN\u3c/em\u3e-Methylbenzothiazole-2(3\u3cem\u3eH\u3c/em\u3e)-selone, C\u3csub\u3e8\u3c/sub\u3eH\u3csub\u3e7\u3c/sub\u3eNSSe [PDF]
, 1997 The crystal structure of N-methyl1,3-benzothiazole-2(3H)-selone, (mbts) has been studied to estimate the changes in the molecular geometry of the mbts ligand upon coordination.
Husebye, Steinar +2 more
core +1 more source
, 2010 We propose a structural model that treats in a unified fashion both the atomic motions and electronic excitations in quenched melts of pnictide and chalcogenide semiconductors. In Part I (submitted to J. Chem.
Andriy Zhugayevych +5 more
core +1 more source
, 2005 The heats of formation of HClO$_4$ and Cl$_2$O$_7$ have been determined to chemical accuracy for the first time by means of W1 and W2 theory. These molecules exhibit particularly severe degrees of inner polarization, and as such obtaining a basis-set ...
Anderson +62 more
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Polymer-bound haloate(I) anions by iodine(III)-mediated oxidation of polymer-bound iodide: Synthetic utility in natural product transformations [PDF]
, 2003 A set of polymer-attached hypervalent iodate(I) complexes were prepared from polymer-bound iodide anion by ligand transfer of acetate and trifluoro acetate present in the corresponding iodine(III) reagents onto the iodide anion. The synthetic versatility
Kirschning, Andreas +5 more
core +2 more sources
Synthetic chemistry and biological activity of pentafluorosulphanyl (SF5) organic molecules [PDF]
, 2012 Acknowledgements We thank the European Commission for financial support (Industry Academia Partnerships and Pathways project “PET BRAIN”, Contract No 251482). S.A.
Altomonte, Stefano, Zanda, Matteo
core +1 more source
The Chemistry and Biology of the Tetrodotoxin Natural Product Family
Angewandte Chemie International Edition, Accepted Article.Tetrodotoxin is a neurotoxic marine alkaloid, first isolated in 1909 from pufferfish and named after the biological order tetraodontiformes. Since its structural elucidation in 1964, it has attracted the interest of synthetic organic chemists due to its exceptional polarity, complex architecture, and important biological activity.
Benedikt Nißl +6 more
wiley +1 more source
Construction of spirolactones with concomitant formation of the fused quaternary centre - application to the synthesis of natural products [PDF]
, 2011 International audiencePolycyclic structures fused at a central carbon are of great interest due to their appealing conformational features and their structural implications in biological systems.
Bartoli, Alexandra +4 more
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Relationships between charge density response functions, exchange holes and localized orbitals [PDF]
, 2015 The charge density response function and the exchange hole are closely related to each other via the fundamental fluctuation-dissipation theorem of physics.
Mussard, Bastien, Ángyán, János G.
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Mechanism of Sulfate Activation Catalyzed by ATP Sulfurylase - Magnesium Inhibits the Activity
Computational and Structural Biotechnology Journal, 2019 ATPS Sulfurylase (ATPS) is the first of three enzymes in the sulfate reduction pathway - one of the oldest metabolic pathways on Earth, utilized by Sulfate Reducing Bacteria (SRB). Due to the low redox potential of the sulfate ion, its reduction requires
Anna Wójcik-Augustyn +2 more
doaj
Real hypervalency in a small molecule.
, 2016 Hypervalency is defined as a molecule that contains one or more main group elements formally bearing more than eight electrons in their valence shell. One example of a molecule so characterised was CLi <sub> 6 </sub> [cite]10.1038/355432a0[/cite] where the description "“ <em> carbon can expand its octet of electrons to ...
openaire +1 more source