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Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry
David Parker, Elizaveta Suturina, Alice Harnden, Andrei Batsanov, Mark Fox, Kevin Mason, Michele Vonci, Eric McInnes, Nicholas Chilton
Jul 22, 2019
In two closely related series of eight-coordinate lanthanide complexes, a switch in the sign of the dominant ligand field parameter and striking variations in the sign, amplitude and orientation of the main component of the...
Unravelling the Complexities of Pseudocontact Shift Analysis in Lanthanide Coordination Complexes of Differing Symmetry
David Parker, Elizaveta Suturina, Alice Harnden, Andrei Batsanov, Mark Fox, Kevin Mason, Michele Vonci, Eric McInnes, Nicholas Chilton
Jul 22, 2019
In two closely related series of eight-coordinate lanthanide complexes, a switch in the sign of the dominant ligand field parameter and striking variations in the sign, amplitude and orientation of the main component of the...
Dynamics of Information Networks
We explore a simple model of network dynamics which has previously been applied to the study of information flow in the context of epidemic spreading. A random rooted network is constructed that evolves according to the...
Triangulations of monotone families I
Let K⊂Rn be a compact definable set in an o-minimal structure over R, for example, a semi-algebraic or a subanalytic set. A definable family {Sδ|0<δ∈R} of compact subsets of K is called a monotone family if Sδ⊂Sη for all...
CoSMed
This paper describes progress with our agenda of formal verification of information flow security for realistic systems. We present CoSMed, a social media platform with verified document confidentiality. The system’s kernel is...
Stochastic drift in discrete waves of nonlocally interacting particles
In this paper, we investigate a generalized model of N particles undergoing second-order nonlocal interactions on a lattice. Our results have applications across many research areas, including the modeling of migration...
Triangulations of monotone families I
Let K⊂Rn be a compact definable set in an o-minimal structure over R, for example, a semi-algebraic or a subanalytic set. A definable family {Sδ|0<δ∈R} of compact subsets of K is called a monotone family if Sδ⊂Sη for all...
SMEs and Certified Management Standards
Existing research on certifiable management standards (CMS) and corporate social responsibility (CSR) tends to focus on large companies and is characterised by disagreement about the role of these standards as drivers of CSR. We...
Dynamics of Information Networks
We explore a simple model of network dynamics which has previously been applied to the study of information flow in the context of epidemic spreading. A random rooted network is constructed that evolves according to the...
NNLO QCD study of polarised W + W − production at the LHC
Abstract: Longitudinal polarisation of the weak bosons is a direct consequence of Electroweak symmetry breaking mechanism providing an insight into its nature, and is instrumental in searches for physics beyond the Standard...
Health impact modelling of active travel visions for England and Wales using an Integrated Transport and Health Impact Modelling Tool (ITHIM).
BACKGROUND: Achieving health benefits while reducing greenhouse gas emissions from transport offers a potential policy win-win; the magnitude of potential benefits, however, is likely to vary. This study uses an Integrated...
SMEs and Certified Management Standards
Existing research on certifiable management standards (CMS) and corporate social responsibility (CSR) tends to focus on large companies and is characterised by disagreement about the role of these standards as drivers of CSR. We...
Noise-activated barrier crossing in multi-attractor spiking networks
Noise-activated transitions between coexisting attractors are investigated in a chaotic spiking network. At low noise level, attractor hopping consists of discrete bifurcation events that conserve the memory of initial...
Noise-activated barrier crossing in multi-attractor spiking networks
Noise-activated transitions between coexisting attractors are investigated in a chaotic spiking network. At low noise level, attractor hopping consists of discrete bifurcation events that conserve the memory of initial...
Stochastic drift in discrete waves of nonlocally interacting particles
In this paper, we investigate a generalized model of N particles undergoing second-order nonlocal interactions on a lattice. Our results have applications across many research areas, including the modeling of migration...
Phase editing as a signal pre-processing step for automated bearing fault detection
Leonardo Barbini, Agusmian P. Ompusunggu, Andrei Bartic, Andrew Hillis, Jonathan Du Bois
Jul 01, 2017
Scheduled maintenance and inspection of bearing elements in industrial machinery contributes significantly to the operating costs. Savings can be made through automatic vibration-based damage detection and prognostics, to permit...
Task difficulty of virtual reality-based assessment tools compared to classical paper-and-pencil or computerized measures
Virtual reality-based assessment tools arise as a promising alternative for classic neuropsychological assessment with an increased level of ecological validity. Because virtual reality cognitive measures recreate tasks that...
Atomistic Simulations of Methylammonium Lead Halide Layers on PbTiO<sub>3</sub> (001) Surfaces
Neculai Plugaru, George Alexandru Nemnes, Lucian Filip, Ioana Pintilie, Lucian Pintilie, Keith Tobias Butler, Andrei Manolescu
May 04, 2017
The substantial increase in the power conversion efficiency of hybrid perovskite solar cells, to date reaching more than 20% in the laboratory, has strongly motivated research on this class of organic-inorganic materials and...
/dk/atira/pure/subjectarea/asjc/2500/2504 name=Electronic, Optical and Magnetic Materials /dk/atira/pure/subjectarea/asjc/2100/2100 name=General Energy /dk/atira/pure/subjectarea/asjc/2500/2508 name=Surfaces, Coatings and Films /dk/atira/pure/subjectarea/asjc/1600/1606 name=Physical and Theoretical Chemistry
Effectiveness and resource requirements of test, trace and isolate strategies for COVID in the UK.
Bobby He, Sheheryar Zaidi, Bryn Elesedy, Michael Hutchinson, Andrei Paleyes, Guy Harling, Anne M Johnson, Yee Whye Teh, Royal Society's DELVE group
Jun 07, 2021
We use an individual-level transmission and contact simulation model to explore the effectiveness and resource requirements of various test-trace-isolate (TTI) strategies for reducing the spread of SARS-CoV-2 in the UK, in the...
A heteroleptic diradical Cr(iii) complex with extended spin delocalization and large intramolecular magnetic exchange
Xiaozhou Ma, Elizaveta A. Suturina, Mathieu Rouzières, Fabrice Wilhelm, Andrei Rogalev, Rodolphe Clérac, Pierre Dechambenoit
May 04, 2020
Successive chemical reductions of the heteroleptic complex [(tpy)Cr III(tphz)] 3+(tpy = terpyridine; tphz = tetrapyridophenazine) give rise to the mono- and di-radical redox isomers, [(tpy)Cr...
/dk/atira/pure/subjectarea/asjc/1500/1503 name=Catalysis /dk/atira/pure/subjectarea/asjc/2500/2504 name=Electronic, Optical and Magnetic Materials /dk/atira/pure/subjectarea/asjc/2500/2503 name=Ceramics and Composites /dk/atira/pure/subjectarea/asjc/1600/1600 name=General Chemistry /dk/atira/pure/subjectarea/asjc/2500/2508 name=Surfaces, Coatings and Films /dk/atira/pure/subjectarea/asjc/2500/2506 name=Metals and Alloys /dk/atira/pure/subjectarea/asjc/2500/2505 name=Materials Chemistry
Analysis of genetic networks regulating refractive eye development in collaborative cross progenitor strain mice reveals new genes and pathways underlying human myopia
Abstract: Background: Population studies suggest that genetic factors play an important role in refractive error development; however, the precise role of genetic background and the composition of the signaling pathways...
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