Search results for "Calculation"
showing 4 items of 594 documents
Structural distortions in homoleptic (RE)4A (E = O, S, Se; A = C, Si, Ge, Sn): Implications for the CVD of tin sulfides
2001
The structures of Sn(SBut)4 and Sn(SCy)4 have been determined and adopt S4 and D2 conformations respectively; the anion [(PhS)Sn3]−, as its Ph4P+ salt, has a structure approaching Cs symmetry. In all three compounds, there are large variations in the ∠S–Sn–S within the same molecule, which have been rationalised in terms of the C–S–Sn–S–C conformations. For Sn(SR)4, the ∠S–Sn–S increases as the conformations change from trans, trans to trans, gauche and gauche, gauche, as the number of eclipsed lone pairs decreases and this rationale is shown to be applicable to a variety of A(ER)4 (A = C, Si, Ge, Sn; E = O, S, Se) and related [Mo(SR)4, Ga(SR)4−] systems. AM1 calculations have been used to …
Recommendations of the LHC Dark Matter Working Group: Comparing LHC searches for dark matter mediators in visible and invisible decay channels and ca…
2019
Physics of the Dark Universe 26, 100377 (2019). doi:10.1016/j.dark.2019.100377
An experimental and theoretical study of a heptacoordinated tungsten(VI) complex of a noninnocent phenylenediamine bis(phenolate) ligand
2018
Abstract [W(N2O2)(HN2O2)] (H4N2O2 = N,N′-bis(3,5-di-tert-butyl-2-hydroxyphenyl)-1,2-phenylenediamine) with a noninnocent ligand was formed by reaction of the alkoxide precursor [W(eg)3] (eg = the 1,2-ethanediolate dianion) with two equivalents of ligand. The phenol groups on one of the ligands are completely deprotonated and the ligand coordinates in a tetradentate fashion, whereas the other ligand is tridentate with one phenol having an intact OH group. The molecular structure, magnetic measurements, EPR spectroscopy, and density functional theory calculations indicate that the complex is a stable radical with the odd electron situated on the tridentate amidophenoxide ligand. The formal ox…
Beam-induced and cosmic-ray backgrounds observed in the ATLAS detector during the LHC 2012 proton-proton running period
2016
This paper discusses various observations on beam-induced and cosmic-ray backgrounds in the ATLAS detector during the LHC 2012 proton-proton run. Building on published results based on 2011 data, the correlations between background and residual pressure of the beam vacuum are revisited. Ghost charge evolution over 2012 and its role for backgrounds are evaluated. New methods to monitor ghost charge with beam-gas rates are presented and observations of LHC abort gap population by ghost charge are discussed in detail. Fake jets from colliding bunches and from ghost charge are analysed with improved methods, showing that ghost charge in individual radio-frequency buckets of the LHC can be resol…